a_Curating_dataset.ipynb

{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Initialisations"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-24T13:35:18.407157Z",
     "start_time": "2019-12-24T13:34:31.567187Z"
    },
    "code_folding": []
   },
   "outputs": [],
   "source": [
    "import pandas as pd ; pd.set_option('display.max_columns', None, 'display.max_rows', None)\n",
    "pd.set_option('expand_frame_repr', True)\n",
    "import numpy as np\n",
    "import pubchempy as pcp\n",
    "from rdkit import Chem\n",
    "import cirpy #for changing between identifiers\n",
    "import matplotlib.pyplot as plt\n",
    "import seaborn as sns\n",
    "\n",
    "#for web integration\n",
    "from googlesearch import search\n",
    "import webbrowser\n",
    "\n",
    "#for molecular drawings and descriptor calculation\n",
    "from rdkit import Chem\n",
    "from rdkit.Chem import Draw\n",
    "from rdkit.Chem import rdMolDescriptors as descriptor\n",
    "from rdkit.Chem import Crippen\n",
    "from rdkit.Chem import AllChem\n",
    "#size = (120, 120)  # Smaller figures than the default.\n",
    "\n",
    "from sklearn import linear_model\n",
    "import statsmodels.api as sm\n",
    "\n",
    "#for progress bars\n",
    "from ipywidgets import widgets, Layout\n",
    "from IPython.display import display\n",
    "from ipywidgets import IntProgress \n",
    "#Run this part outside of the loop - create progress bar\n",
    "\n",
    "#max_count = len(cal_df.index.values)\n",
    "#f = IntProgress(min=0, max=max_count, description='CIDs') # instantiate the bar\n",
    "#display(f) # display the bar\n",
    "#count = 0\n",
    "    \n",
    "    \n",
    "#Place this part inside the loop\n",
    "\n",
    "    #f.value += 1 # signal to increment the progress bar\n",
    "    #count += 1"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Each constant is marked with a symbol denoting how the HLC was obtained\n",
    "- Some values are calculated (T for thermo calc, Q for QSAR calc)\n",
    "- Some values are estimates (E)\n",
    "- Some values are probable incorrect (W)\n",
    "- As stated above, some data was extrapolated to a different temperature or concentration range (R)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Here I will remove estimated/calculated values from the dataset"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Getting data from the supplement"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:10:21.520675Z",
     "start_time": "2019-12-03T16:10:21.082661Z"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "4632 4632 4632 \n",
      " <class 'list'> <class 'list'> <class 'list'> \n",
      " <class 'str'> <class 'str'> <class 'list'>\n"
     ]
    }
   ],
   "source": [
    "file = open(\"henry_law_dataset/output/HcpSI.f90\", \"r\")\n",
    "species_f90 = (file.read().split(sep=\"! species:\")) # create list where each element contains one species\n",
    "species_list = [] \n",
    "constant_list = []\n",
    "cas_list = []\n",
    "\n",
    "for i in species_f90[1:]: #first line is ! alpha, skip this line with [1:]\n",
    "    cas_line = i.split(sep='\\n')[3] # fourth line contains CAS number\n",
    "    cas_list.append(cas_line.split(sep='! casrn:   ')[1]) # isolate CAS number and place it in the list\n",
    "    \n",
    "    species = i.split(sep='\\n')[0] #first line contains species name\n",
    "    species_list.append(species[1:]) # isolate species name and place it in list\n",
    "    hcpsi_lines = (i.split(sep='\\n')[5:]) #lines past the 6th contain constants\n",
    "    # each species has a different number of constants\n",
    "    # loop through them and pull the constant from each line, place them into a list\n",
    "    const_per_line = [] #list for each species' constants\n",
    "    for j in range(0, len(hcpsi_lines)):\n",
    "        if 'HcpSI' in hcpsi_lines[j]: #check if line contains constant\n",
    "            const_type = hcpsi_lines[j].split(sep='type: ')[1].split(sep=',')[0] # isolate 'type' code\n",
    "            if (const_type != 'W') and (const_type != 'E') and (const_type != 'T') and (const_type != 'Q'):\n",
    "                # remove calculated / incorrect constants\n",
    "                const_per_line.append(hcpsi_lines[j].split(sep='=  ')[1][0:8]) # add remaining constants to list\n",
    "        else:\n",
    "            pass\n",
    "    \n",
    "    if 'HcpSI' in i:\n",
    "        new_value_list = []\n",
    "        for const in const_per_line:\n",
    "            # convert constants from strings to floats\n",
    "            if type(const) == str:\n",
    "                number = float(const.split(sep='E')[0])\n",
    "                power = float((const.split(sep='E')[1]))\n",
    "                new_value = (number*np.power(10, power)) # create float\n",
    "                log_value = np.log(1/new_value) # inverse of H gives Kh, then take log.\n",
    "            new_value_list.append(log_value) # put new value into list per species\n",
    "        constant_list.append(new_value_list) # put new lists into final list of constant lists\n",
    "    else:\n",
    "        constant_list.append(np.nan)\n",
    "print(len(cas_list), len(species_list), len(constant_list), '\\n',\n",
    "     type(cas_list), type(species_list), type(constant_list), '\\n',\n",
    "     type(cas_list[0]), type(species_list[0]), type(constant_list[0])) #checking lists are full and correct type"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Conversion of CAS numbers to SMILES strings"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-01T12:39:45.185927Z",
     "start_time": "2019-12-01T11:41:01.366601Z"
    }
   },
   "outputs": [
    {
     "data": {
      "application/vnd.jupyter.widget-view+json": {
       "model_id": "2e9cdaae02324a2792a03078fed87e8c",
       "version_major": 2,
       "version_minor": 0
      },
      "text/plain": [
       "IntProgress(value=0, description='CAS->SMILES', max=4632)"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "smiles_list = []\n",
    "\n",
    "max_count = len(cas_list)\n",
    "f = IntProgress(min=0, max=max_count, description='CAS->SMILES') # instantiate the bar\n",
    "display(f) # display the bar\n",
    "count = 0\n",
    "    \n",
    "for cas in cas_list:\n",
    "    smiles_list.append(cirpy.resolve(cas, 'smiles')) #convert CAS to SMILES\n",
    "    f.value += 1 # signal to increment the progress bar\n",
    "    count += 1"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Construct table describing set of constants for each species"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:11:56.902390Z",
     "start_time": "2019-12-03T16:11:56.558980Z"
    }
   },
   "outputs": [],
   "source": [
    "min_list = []; max_list = []; mean_list = []; median_list = []; num_constants_list = []\n",
    "for clist in constant_list:\n",
    "    if (type(clist) == list):\n",
    "        if (len(clist) != 0):\n",
    "            #get various stats for each species' constants\n",
    "            min_list.append(np.min(clist))\n",
    "            max_list.append(np.max(clist))\n",
    "            mean_list.append(np.mean(clist))\n",
    "            median_list.append(np.median(clist))\n",
    "        else:\n",
    "            min_list.append(0)\n",
    "            max_list.append(0)\n",
    "            mean_list.append(0)\n",
    "            median_list.append(0)\n",
    "    else:\n",
    "        min_list.append(0)\n",
    "        max_list.append(0)\n",
    "        mean_list.append(0)\n",
    "        median_list.append(0)\n",
    "    if type(clist) == list:\n",
    "        num_constants_list.append(len(clist))\n",
    "    else:\n",
    "        num_constants_list.append(0)\n",
    "const_list_df = pd.DataFrame(species_list)\n",
    "const_list_df.rename({0:'Species'}, axis=1, inplace=True)\n",
    "const_list_df['Num'] = num_constants_list\n",
    "const_list_df['min'] = min_list    \n",
    "const_list_df['max'] = max_list    \n",
    "const_list_df['mean'] = mean_list    \n",
    "const_list_df['median'] = median_list\n",
    "const_list_df['max-min'] = np.array(max_list) - np.array(min_list)\n",
    "const_list_df.set_index('Species', inplace=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 215,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-02T12:54:31.518049Z",
     "start_time": "2019-12-02T12:54:31.448841Z"
    }
   },
   "outputs": [],
   "source": [
    "const_list_df.to_csv('summary_stats_curated.csv') #export summary stats per species for later use"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-24T13:35:32.270647Z",
     "start_time": "2019-12-24T13:35:32.060087Z"
    }
   },
   "outputs": [],
   "source": [
    "const_list_df = pd.read_csv('../summary_stats_curated.csv')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Visualise data distribution, look at varying constants"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-24T13:35:37.990832Z",
     "start_time": "2019-12-24T13:35:36.707989Z"
    }
   },
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "plt.hist(const_list_df[const_list_df['max-min']!=0]['max-min'], bins=30)\n",
    "plt.title('Max-Min $log(K_H)$ per species')\n",
    "plt.xlabel('Max $log(K_H)$ - Min $log(K_H)$')\n",
    "plt.ylabel('Frequency')\n",
    "hist = plt.gcf()\n",
    "\n",
    "hist.savefig('range_per_species.png')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-24T13:42:05.092659Z",
     "start_time": "2019-12-24T13:42:04.320608Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Species</th>\n",
       "      <th>Num</th>\n",
       "      <th>min</th>\n",
       "      <th>max</th>\n",
       "      <th>mean</th>\n",
       "      <th>median</th>\n",
       "      <th>max-min</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>1108</th>\n",
       "      <td>hexanedioic acid</td>\n",
       "      <td>4</td>\n",
       "      <td>2.397895</td>\n",
       "      <td>18.005165</td>\n",
       "      <td>11.765305</td>\n",
       "      <td>13.329080</td>\n",
       "      <td>15.607270</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3041</th>\n",
       "      <td>(2,4-dichlorophenoxy)-ethanoic acid</td>\n",
       "      <td>11</td>\n",
       "      <td>-1.966113</td>\n",
       "      <td>15.520259</td>\n",
       "      <td>6.163701</td>\n",
       "      <td>6.877296</td>\n",
       "      <td>17.486372</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4184</th>\n",
       "      <td>pebulate</td>\n",
       "      <td>4</td>\n",
       "      <td>-3.194183</td>\n",
       "      <td>23.858760</td>\n",
       "      <td>4.310896</td>\n",
       "      <td>-1.710496</td>\n",
       "      <td>27.052943</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4552</th>\n",
       "      <td>iodofenphos</td>\n",
       "      <td>2</td>\n",
       "      <td>0.788457</td>\n",
       "      <td>23.858760</td>\n",
       "      <td>12.323609</td>\n",
       "      <td>12.323609</td>\n",
       "      <td>23.070303</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                                  Species  Num       min        max  \\\n",
       "1108                     hexanedioic acid    4  2.397895  18.005165   \n",
       "3041  (2,4-dichlorophenoxy)-ethanoic acid   11 -1.966113  15.520259   \n",
       "4184                             pebulate    4 -3.194183  23.858760   \n",
       "4552                          iodofenphos    2  0.788457  23.858760   \n",
       "\n",
       "           mean     median    max-min  \n",
       "1108  11.765305  13.329080  15.607270  \n",
       "3041   6.163701   6.877296  17.486372  \n",
       "4184   4.310896  -1.710496  27.052943  \n",
       "4552  12.323609  12.323609  23.070303  "
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "2100 species with 0 constant(s)\n",
      "1225 species with 1 constant(s)\n",
      "411 species with 2 constant(s)\n",
      "227 species with 3 constant(s)\n",
      "148 species with 4 constant(s)\n",
      "100 species with 5 constant(s)\n",
      "78 species with 6 constant(s)\n",
      "56 species with 7 constant(s)\n",
      "45 species with 8 constant(s)\n",
      "36 species with 9 constant(s)\n",
      "28 species with 10 constant(s)\n",
      "24 species with 11 constant(s)\n",
      "25 species with 12 constant(s)\n",
      "12 species with 13 constant(s)\n",
      "10 species with 14 constant(s)\n",
      "19 species with 15 constant(s)\n",
      "6 species with 16 constant(s)\n",
      "11 species with 17 constant(s)\n",
      "3 species with 18 constant(s)\n",
      "11 species with 19 constant(s)\n",
      "4 species with 20 constant(s)\n",
      "3 species with 21 constant(s)\n",
      "2 species with 22 constant(s)\n",
      "4 species with 23 constant(s)\n",
      "3 species with 24 constant(s)\n",
      "4 species with 25 constant(s)\n",
      "3 species with 26 constant(s)\n",
      "2 species with 27 constant(s)\n",
      "4 species with 28 constant(s)\n",
      "4 species with 29 constant(s)\n",
      "2 species with 30 constant(s)\n",
      "2 species with 31 constant(s)\n",
      "1 species with 32 constant(s)\n",
      "1 species with 34 constant(s)\n",
      "2 species with 35 constant(s)\n",
      "1 species with 36 constant(s)\n",
      "1 species with 37 constant(s)\n",
      "1 species with 40 constant(s)\n",
      "1 species with 42 constant(s)\n",
      "1 species with 43 constant(s)\n",
      "1 species with 47 constant(s)\n",
      "1 species with 51 constant(s)\n",
      "1 species with 52 constant(s)\n",
      "1 species with 53 constant(s)\n",
      "1 species with 55 constant(s)\n",
      "1 species with 58 constant(s)\n",
      "1 species with 59 constant(s)\n",
      "2 species with 72 constant(s)\n",
      "1 species with 90 constant(s)\n",
      "1 species with 96 constant(s)\n",
      "This accounts for all species\n"
     ]
    }
   ],
   "source": [
    "display(const_list_df[const_list_df['max-min'] > 15]) #these vary by more than 15 log units\n",
    "num_species = 0\n",
    "for num in range(0, 100):\n",
    "    if len(const_list_df[const_list_df['Num'] == num] != 0):\n",
    "        print(len(const_list_df[const_list_df['Num'] == num]), \"species with %i constant(s)\" % num)\n",
    "    num_species += len(const_list_df[const_list_df['Num'] == num])\n",
    "if num_species == len(const_list_df):\n",
    "    print(\"This accounts for all species\")\n",
    "else:\n",
    "    print(\"Not all species accounted for - there are %i species missing from this count\" % (len(const_list_df) - num_species))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Benzene derivatives seem to have lots of constants"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-24T13:45:15.787313Z",
     "start_time": "2019-12-24T13:45:15.770266Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Species</th>\n",
       "      <th>Num</th>\n",
       "      <th>min</th>\n",
       "      <th>max</th>\n",
       "      <th>mean</th>\n",
       "      <th>median</th>\n",
       "      <th>max-min</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>361</th>\n",
       "      <td>benzene</td>\n",
       "      <td>90</td>\n",
       "      <td>-7.957577</td>\n",
       "      <td>-5.599422</td>\n",
       "      <td>-6.352758</td>\n",
       "      <td>-6.319969</td>\n",
       "      <td>2.358155</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>363</th>\n",
       "      <td>methylbenzene</td>\n",
       "      <td>96</td>\n",
       "      <td>-8.679712</td>\n",
       "      <td>-5.878136</td>\n",
       "      <td>-6.488816</td>\n",
       "      <td>-6.502290</td>\n",
       "      <td>2.801576</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>365</th>\n",
       "      <td>1,2-dimethylbenzene</td>\n",
       "      <td>35</td>\n",
       "      <td>-6.907755</td>\n",
       "      <td>-5.744604</td>\n",
       "      <td>-6.224861</td>\n",
       "      <td>-6.265901</td>\n",
       "      <td>1.163151</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>368</th>\n",
       "      <td>1,4-dimethylbenzene</td>\n",
       "      <td>36</td>\n",
       "      <td>-8.622554</td>\n",
       "      <td>-6.074846</td>\n",
       "      <td>-6.600984</td>\n",
       "      <td>-6.571283</td>\n",
       "      <td>2.547708</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>374</th>\n",
       "      <td>ethylbenzene</td>\n",
       "      <td>52</td>\n",
       "      <td>-8.740337</td>\n",
       "      <td>-5.991465</td>\n",
       "      <td>-6.678966</td>\n",
       "      <td>-6.645391</td>\n",
       "      <td>2.748872</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>457</th>\n",
       "      <td>naphthalene</td>\n",
       "      <td>40</td>\n",
       "      <td>-4.933674</td>\n",
       "      <td>-2.813411</td>\n",
       "      <td>-3.876310</td>\n",
       "      <td>-3.816713</td>\n",
       "      <td>2.120264</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>961</th>\n",
       "      <td>propanone</td>\n",
       "      <td>43</td>\n",
       "      <td>-6.969631</td>\n",
       "      <td>-0.634878</td>\n",
       "      <td>-1.666405</td>\n",
       "      <td>-1.347074</td>\n",
       "      <td>6.334752</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>964</th>\n",
       "      <td>butanone</td>\n",
       "      <td>42</td>\n",
       "      <td>-4.509860</td>\n",
       "      <td>-0.891598</td>\n",
       "      <td>-1.942060</td>\n",
       "      <td>-1.771957</td>\n",
       "      <td>3.618262</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2544</th>\n",
       "      <td>dichloromethane</td>\n",
       "      <td>55</td>\n",
       "      <td>-5.914504</td>\n",
       "      <td>-4.422849</td>\n",
       "      <td>-5.565887</td>\n",
       "      <td>-5.599422</td>\n",
       "      <td>1.491655</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2546</th>\n",
       "      <td>trichloromethane</td>\n",
       "      <td>72</td>\n",
       "      <td>-6.571283</td>\n",
       "      <td>-4.710531</td>\n",
       "      <td>-5.951986</td>\n",
       "      <td>-5.991465</td>\n",
       "      <td>1.860752</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2547</th>\n",
       "      <td>tetrachloromethane</td>\n",
       "      <td>58</td>\n",
       "      <td>-9.610818</td>\n",
       "      <td>-6.812445</td>\n",
       "      <td>-7.991074</td>\n",
       "      <td>-7.986565</td>\n",
       "      <td>2.798373</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2549</th>\n",
       "      <td>1,1-dichloroethane</td>\n",
       "      <td>34</td>\n",
       "      <td>-6.907755</td>\n",
       "      <td>-6.032287</td>\n",
       "      <td>-6.362971</td>\n",
       "      <td>-6.377127</td>\n",
       "      <td>0.875469</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2550</th>\n",
       "      <td>1,2-dichloroethane</td>\n",
       "      <td>47</td>\n",
       "      <td>-7.469874</td>\n",
       "      <td>-4.422849</td>\n",
       "      <td>-4.901366</td>\n",
       "      <td>-4.803621</td>\n",
       "      <td>3.047026</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2552</th>\n",
       "      <td>1,1,1-trichloroethane</td>\n",
       "      <td>51</td>\n",
       "      <td>-8.217089</td>\n",
       "      <td>-6.032287</td>\n",
       "      <td>-7.374843</td>\n",
       "      <td>-7.435388</td>\n",
       "      <td>2.184802</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2624</th>\n",
       "      <td>1,1-dichloroethene</td>\n",
       "      <td>31</td>\n",
       "      <td>-9.864267</td>\n",
       "      <td>-6.119298</td>\n",
       "      <td>-8.064590</td>\n",
       "      <td>-7.902008</td>\n",
       "      <td>3.744969</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2627</th>\n",
       "      <td>($E$)-1,2-dichloroethene</td>\n",
       "      <td>37</td>\n",
       "      <td>-7.264430</td>\n",
       "      <td>-6.032287</td>\n",
       "      <td>-6.704701</td>\n",
       "      <td>-6.812445</td>\n",
       "      <td>1.232144</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2628</th>\n",
       "      <td>trichloroethene</td>\n",
       "      <td>72</td>\n",
       "      <td>-7.600902</td>\n",
       "      <td>-6.032287</td>\n",
       "      <td>-6.931442</td>\n",
       "      <td>-6.927958</td>\n",
       "      <td>1.568616</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2629</th>\n",
       "      <td>tetrachloroethene</td>\n",
       "      <td>59</td>\n",
       "      <td>-8.679712</td>\n",
       "      <td>-5.843045</td>\n",
       "      <td>-7.471204</td>\n",
       "      <td>-7.452482</td>\n",
       "      <td>2.836668</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2659</th>\n",
       "      <td>chlorobenzene</td>\n",
       "      <td>53</td>\n",
       "      <td>-6.502290</td>\n",
       "      <td>-5.572754</td>\n",
       "      <td>-5.924519</td>\n",
       "      <td>-5.914504</td>\n",
       "      <td>0.929536</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2661</th>\n",
       "      <td>1,2-dichlorobenzene</td>\n",
       "      <td>35</td>\n",
       "      <td>-5.914504</td>\n",
       "      <td>-4.755993</td>\n",
       "      <td>-5.243871</td>\n",
       "      <td>-5.259097</td>\n",
       "      <td>1.158510</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2674</th>\n",
       "      <td>hexachlorobenzene</td>\n",
       "      <td>31</td>\n",
       "      <td>-10.637457</td>\n",
       "      <td>0.955511</td>\n",
       "      <td>-4.406256</td>\n",
       "      <td>-4.509860</td>\n",
       "      <td>11.592968</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3671</th>\n",
       "      <td>trichlorofluoromethane</td>\n",
       "      <td>32</td>\n",
       "      <td>-11.330604</td>\n",
       "      <td>-8.180721</td>\n",
       "      <td>-9.200489</td>\n",
       "      <td>-9.210340</td>\n",
       "      <td>3.149883</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                       Species  Num        min       max      mean    median  \\\n",
       "361                    benzene   90  -7.957577 -5.599422 -6.352758 -6.319969   \n",
       "363              methylbenzene   96  -8.679712 -5.878136 -6.488816 -6.502290   \n",
       "365        1,2-dimethylbenzene   35  -6.907755 -5.744604 -6.224861 -6.265901   \n",
       "368        1,4-dimethylbenzene   36  -8.622554 -6.074846 -6.600984 -6.571283   \n",
       "374               ethylbenzene   52  -8.740337 -5.991465 -6.678966 -6.645391   \n",
       "457                naphthalene   40  -4.933674 -2.813411 -3.876310 -3.816713   \n",
       "961                  propanone   43  -6.969631 -0.634878 -1.666405 -1.347074   \n",
       "964                   butanone   42  -4.509860 -0.891598 -1.942060 -1.771957   \n",
       "2544           dichloromethane   55  -5.914504 -4.422849 -5.565887 -5.599422   \n",
       "2546          trichloromethane   72  -6.571283 -4.710531 -5.951986 -5.991465   \n",
       "2547        tetrachloromethane   58  -9.610818 -6.812445 -7.991074 -7.986565   \n",
       "2549        1,1-dichloroethane   34  -6.907755 -6.032287 -6.362971 -6.377127   \n",
       "2550        1,2-dichloroethane   47  -7.469874 -4.422849 -4.901366 -4.803621   \n",
       "2552     1,1,1-trichloroethane   51  -8.217089 -6.032287 -7.374843 -7.435388   \n",
       "2624        1,1-dichloroethene   31  -9.864267 -6.119298 -8.064590 -7.902008   \n",
       "2627  ($E$)-1,2-dichloroethene   37  -7.264430 -6.032287 -6.704701 -6.812445   \n",
       "2628           trichloroethene   72  -7.600902 -6.032287 -6.931442 -6.927958   \n",
       "2629         tetrachloroethene   59  -8.679712 -5.843045 -7.471204 -7.452482   \n",
       "2659             chlorobenzene   53  -6.502290 -5.572754 -5.924519 -5.914504   \n",
       "2661       1,2-dichlorobenzene   35  -5.914504 -4.755993 -5.243871 -5.259097   \n",
       "2674         hexachlorobenzene   31 -10.637457  0.955511 -4.406256 -4.509860   \n",
       "3671    trichlorofluoromethane   32 -11.330604 -8.180721 -9.200489 -9.210340   \n",
       "\n",
       "        max-min  \n",
       "361    2.358155  \n",
       "363    2.801576  \n",
       "365    1.163151  \n",
       "368    2.547708  \n",
       "374    2.748872  \n",
       "457    2.120264  \n",
       "961    6.334752  \n",
       "964    3.618262  \n",
       "2544   1.491655  \n",
       "2546   1.860752  \n",
       "2547   2.798373  \n",
       "2549   0.875469  \n",
       "2550   3.047026  \n",
       "2552   2.184802  \n",
       "2624   3.744969  \n",
       "2627   1.232144  \n",
       "2628   1.568616  \n",
       "2629   2.836668  \n",
       "2659   0.929536  \n",
       "2661   1.158510  \n",
       "2674  11.592968  \n",
       "3671   3.149883  "
      ]
     },
     "execution_count": 21,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "const_list_df[const_list_df['Num'] > 30]"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Marking species with varying HLCs\n",
    "One-hot encoding to mark these species - not to be used as a feature to train models with."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-24T15:17:03.645618Z",
     "start_time": "2019-12-24T15:16:54.458706Z"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "vary_list_0 4632 constants total. 1179 varying constants\n",
      "vary_list_1 4632 constants total. 665 varying constants\n",
      "vary_list_2 4632 constants total. 465 varying constants\n",
      "vary_list_3 4632 constants total. 296 varying constants\n",
      "vary_list_4 4632 constants total. 182 varying constants\n",
      "vary_list_5 4632 constants total. 110 varying constants\n",
      "vary_list_6 4632 constants total. 82 varying constants\n",
      "vary_list_7 4632 constants total. 60 varying constants\n",
      "vary_list_8 4632 constants total. 40 varying constants\n",
      "vary_list_9 4632 constants total. 29 varying constants\n"
     ]
    }
   ],
   "source": [
    "for vary_by in range(0, 10):\n",
    "    exec('vary_list_%i = []'% vary_by) # create many empty lists at once\n",
    "    for i in range(0, len(const_list_df)):\n",
    "        max_min = const_list_df.iloc[i]['max-min']\n",
    "        # one hot encoding - for vary_list_x, append 1 if range is larger than x and 0 if not\n",
    "        if max_min > vary_by:\n",
    "            exec('vary_list_%i.append(1)'% vary_by)\n",
    "        else:\n",
    "            exec('vary_list_%i.append(0)'% vary_by)\n",
    "    exec('print(\"vary_list_%i\", len(vary_list_%i), \"constants total.\", vary_list_%i.count(1), \"varying constants\")'\n",
    "         %(vary_by, vary_by, vary_by)) #ensure all constants are processed properly"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-24T15:21:07.481159Z",
     "start_time": "2019-12-24T15:21:07.292964Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Text(0, 0.5, 'Count')"
      ]
     },
     "execution_count": 30,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "x = list(range(0, 10)) ; y = [1179, 665, 465, 296, 182, 110, 82, 60, 40, 29]\n",
    "chart = plt.scatter(x, np.log(y))\n",
    "plt.xlabel('Max-min (log units)')\n",
    "plt.ylabel('Count')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Picking constants to use for each species\n",
    "Henry's Law constants vary by a fair amount - values between species can differ by orders of magnitude. Perhaps its an idea to take the log of the constants as we get them and then work out how to split from there?\n",
    "> Changed the code in `Getting data from the supplement` to use the log value from the start\n",
    "\n",
    "Now to figure out which values to use. I think a difference of one log unit is a reasonable threshold to drop, but will check this with Jeremy.\n",
    "\n",
    "> For now, I will not drop any constants, and will instead use the mean for each species.\n",
    "\n",
    "I'm going to create several columns in this dataframe - each holding a different choice of constant."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:13:23.506326Z",
     "start_time": "2019-12-03T16:13:22.247247Z"
    },
    "collapsed": true
   },
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\jtd1g16\\AppData\\Local\\Continuum\\anaconda3\\lib\\site-packages\\numpy\\core\\fromnumeric.py:3257: RuntimeWarning: Mean of empty slice.\n",
      "  out=out, **kwargs)\n",
      "C:\\Users\\jtd1g16\\AppData\\Local\\Continuum\\anaconda3\\lib\\site-packages\\numpy\\core\\_methods.py:161: RuntimeWarning: invalid value encountered in double_scalars\n",
      "  ret = ret.dtype.type(ret / rcount)\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0 [11.330603908176274, 11.250561200502737, 11.250561200502737, 11.250561200502737, 11.250561200502737, 11.250561200502737, 11.250561200502737, 11.250561200502737, 11.330603908176274, 11.250561200502737, 11.250561200502737, 11.250561200502737, 11.330603908176274, 11.250561200502737]\n",
      "1 [9.210340371976184, 9.210340371976184, 9.115030192171858, 8.947976107508692, 9.115030192171858, 9.028018815182229, 9.115030192171858, 8.947976107508692, 13.815510557964274, 9.028018815182229, 9.282911064811017, 9.282911064811017]\n",
      "2 [12.859999112936837, 12.859999112936837]\n",
      "3 [11.761386824268728, 11.774290229104636, 11.748647798491298, 11.774290229104636, 11.774290229104636, 11.774290229104636, 11.774290229104636]\n",
      "4 [11.748647798491298]\n",
      "5 [0.9675840262617057, 0.9675840262617057, 1.3862943611198906, -0.6931471805599453, -4.48863636973214, 1.3862943611198906]\n",
      "6 [-1.916922612182061, -1.916922612182061, -4.04305126783455]\n",
      "7 [-6.813444599510896, -6.721425700790643, -6.633318433280377, -6.887552571664617, -7.003065458786462, -6.709304340258298, -6.897704943128636, -6.745236349484363, -6.507277712385012, -7.24422751560335, -6.551080335043404, -6.551080335043404]\n",
      "8 [11.959212567598648, 11.959212567598648, 11.959212567598648, 11.943708381062683, 11.943708381062683, 11.959212567598648, 12.129111604394046, 11.928440908931893, 11.943708381062683, 11.943708381062683, 11.974960924566787]\n",
      "9 [0.5276327420823718, 0.5276327420823718, 0.5447271754416722, 0.5108256237659906, 2.302585092994046, 1.2729656758128876, 0.5108256237659906, 0.5978370007556204, 0.2613647641344075, 0.30110509278392145, 0.49429632181478017, 1.3093333199837622, 0.5621189181535412, 0.49429632181478017, 0.5447271754416722, 0.6539264674066639]\n",
      "10 [2.120263536200091, 2.322787800311565, 2.120263536200091, 2.312635428847547]\n",
      "11 [-2.772588722239781]\n",
      "12 [8.334871634622283, 8.334871634622283, 8.334871634622283, 8.334871634622283, 8.622553707074063, 8.294049640102028, 8.334871634622283, 8.334871634622283, 8.334871634622283, 8.334871634622283, 8.294049640102028, 8.294049640102028]\n",
      "13 [10.871071578797833, 10.871071578797833, 10.871071578797833, 10.871071578797833, 11.250561200502737, 10.680016342035124, 10.871071578797833, 10.871071578797833, 10.871071578797833, 10.871071578797833, 10.871071578797833, 10.871071578797833, 10.871071578797833, 10.871071578797833]\n",
      "14 [9.220390707829685, 9.028018815182229, 8.87386813535497, 9.028018815182229, 8.87386813535497, 9.581404053367015, 8.377431249041079, 9.220390707829685, 9.220390707829685, 7.824046010856292]\n",
      "15 [7.875339305243843, 7.875339305243843, 4.017383521085972, 5.132802928070463]\n",
      "16 [5.132802928070463, 1.3862943611198906]\n",
      "17 [4.268697949366879, 3.912023005428146, 4.135166556742356, 3.473768074496991, 4.3428059215206005]\n",
      "18 []\n",
      "19 []\n",
      "20 [0.7339691750802005, 0.7550225842780328, 0.7550225842780328, 0.7339691750802005, 0.9942522733438668, 0.7339691750802005]\n",
      "21 [-6.779921907472252, -7.649692623711514, -7.649692623711514, -7.649692623711514, -8.131530710604252]\n",
      "22 [0.9416085398584448, -3.6635616461296463, -4.941642422609305, -5.298317366548036]\n",
      "23 []\n",
      "24 [-4.867534450455582]\n",
      "25 [10.4482147279778]\n",
      "26 [11.748647798491298, 11.748647798491298, 11.711376403694066]\n",
      "27 [11.687278852115007, 11.687278852115007]\n",
      "28 [6.991136887921188, 6.991136887921188, 7.013115794639964, 3.270169119255751, 7.195437351433918, 7.402051600796917, 6.980325971816972, 7.002065958453379, 6.991136887921188]\n",
      "29 [3.7722610630529876, 3.7722610630529876]\n",
      "30 [-2.70805020110221, 1.6094379124341003, 1.6607312068216509, -3.2188758248682006]\n",
      "31 [-1.8718021769015913, -1.8718021769015913, -1.8718021769015913, -2.2082744135228043, -1.547562508716013, -1.791759469228055]\n",
      "32 []\n",
      "33 [4.961845129926823, 4.961845129926823]\n",
      "34 [1.7719568419318752, 1.7719568419318752, 1.7719568419318752, 1.7719568419318752]\n",
      "35 [4.605170185988092, 4.605170185988092, 4.605170185988092, 4.605170185988092, 4.615220521841593]\n",
      "36 [7.621105166859602]\n",
      "37 [7.849363818840582]\n",
      "38 nan\n",
      "39 [0.1508228897345837, 0.1508228897345837, 0.08338160893905121]\n",
      "40 [1.2378743560016174, 1.2378743560016174, 1.2729656758128876]\n",
      "41 [6.917805614835639, 6.917805614835639, 6.917805614835639]\n",
      "42 [4.933674252960127, 4.933674252960127, 4.017383521085972, 4.990832666800076, 4.645992180508347, 4.961845129926823, 4.853631545286591, 4.840892519509161, 4.7914997641795845, 4.840892519509161, 4.879607031689852, 4.892852258439873]\n",
      "43 []\n",
      "44 [1.4271163556401458]\n",
      "45 [-0.2623642644674911, -0.2623642644674911, -2.9444389791664407]\n",
      "46 []\n",
      "47 nan\n",
      "48 [4.6356293934728, 4.6356293934728, 2.7806208939370456, 4.199705077879927, 4.677740878822926, 3.1700856606987684]\n",
      "49 [3.575550768806933, 3.575550768806933, 3.506557897319982, 3.473768074496991, 4.509860006183766]\n",
      "50 []\n",
      "51 nan\n",
      "52 [-1.410986973710262]\n",
      "53 []\n",
      "54 []\n",
      "55 [6.907755278982137, 6.907755278982137, 6.907755278982137, 6.907755278982137, 6.907755278982137, 6.907755278982137, 6.907755278982137, 7.002065958453379, 7.05857816871672, 6.812445099177812, 6.969630682700225, 6.907755278982137, 6.9485772735023925, 6.907755278982137, 6.907755278982137, 6.907755278982137]\n",
      "56 [4.3428059215206005, 4.3428059215206005, 4.422848629194137, 4.422848629194137, 4.422848629194137, 4.268697949366879, 0.9162907318741551, 4.422848629194137, 4.509860006183766, 4.3428059215206005, 4.422848629194137, 4.199705077879927, 4.422848629194137, 4.422848629194137]\n",
      "57 nan\n",
      "58 []\n",
      "59 [12.940041820610373, 12.89921982609012, 12.940041820610373, 12.940041820610373, 13.479038321343062, 12.940041820610373, 12.859999112936837, 13.027053197600004]\n",
      "60 [9.326874188232134]\n",
      "61 [12.454534004828673, 12.480509491231935, 12.480509491231935, 12.454534004828673, 12.507177738314095, 12.480509491231935, 12.480509491231935, 12.507177738314095, 12.480509491231935]\n",
      "62 [12.311433161188, 12.333906017040059, 12.333906017040059, 12.311433161188, 12.333906017040059, 12.311433161188, 12.311433161188, 12.311433161188, 12.333906017040059]\n",
      "63 [11.176453228349015, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.107460356862063, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.176453228349015]\n",
      "64 [10.596634733096073, 10.596634733096073, 10.596634733096073, 10.819778284410283, 10.596634733096073, 10.596634733096073, 10.637456727616328, 10.596634733096073, 10.596634733096073, 10.596634733096073, 10.596634733096073]\n",
      "65 [10.031320924046012, 10.054310442270712, 10.077840939680906, 10.319002996497794, 10.054310442270712, 10.077840939680906, 10.054310442270712, 10.054310442270712, 9.923690259853647, 10.054310442270712]\n",
      "66 [9.304651051447424, 9.293721980915233, 9.282911064811017, 9.293721980915233, 9.396669950167675, 9.304651051447424]\n",
      "67 [-15.150511624696614]\n",
      "68 [7.09408485717363, 7.1184763102977895]\n",
      "69 [9.421061403291835, 9.737973114058555]\n",
      "70 [9.338173743486067]\n",
      "71 [6.812445099177812, 6.6453910145146455, 6.6453910145146455, 7.047017346315645, 6.812445099177812, 6.725433722188183, 6.725433722188183, 6.571283042360924, 6.571283042360924, 6.6453910145146455, 6.6453910145146455, 6.991136887921188]\n",
      "72 [-10.373491181781864, -24.01910270295074, -9.546812608597396]\n",
      "73 [-4.867534450455582, -4.867534450455582]\n",
      "74 [-6.907755278982137, -9.680344001221918, -10.645424897265505, -9.472704636443673, -12.388394202324129, -9.546812608597396, -9.546812608597396, -10.203592144986466, -9.546812608597396, -6.4457198193855785]\n",
      "75 [-7.090076835776092, -6.866933284461882, -10.203592144986466, -3.951243718581427]\n",
      "76 [-4.04305126783455, -0.6418538861723948]\n",
      "77 [11.176453228349015, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.107460356862063, 11.176453228349015, 11.330603908176274, 11.250561200502737, 11.330603908176274, 11.176453228349015, 11.176453228349015, 11.250561200502737, 11.107460356862063, 11.107460356862063, 11.107460356862063, 9.293721980915233, 11.176453228349015, 11.176453228349015, 11.176453228349015, 11.553747459490484, 11.250561200502737, 11.042921835724492, 11.250561200502737, 11.107460356862063, 11.176453228349015]\n",
      "78 [10.871071578797833, 10.871071578797833, 10.871071578797833, 10.871071578797833, 10.819778284410283, 10.92513880006811, 10.819778284410283, 11.250561200502737, 10.871071578797833, 10.871071578797833, 10.819778284410283, 10.819778284410283, 9.210340371976184, 10.871071578797833, 10.871071578797833, 10.92513880006811, 10.92513880006811, 10.819778284410283, 10.871071578797833]\n",
      "79 [11.107460356862063, 11.107460356862063, 11.107460356862063, 11.176453228349015, 11.107460356862063, 11.042921835724492, 11.107460356862063, 11.543384672454938, 11.176453228349015, 11.176453228349015, 11.250561200502737, 11.107460356862063, 11.107460356862063, 11.176453228349015, 11.176453228349015, 11.107460356862063]\n",
      "80 [11.330603908176274, 11.330603908176274, 11.250561200502737, 11.512925464970229, 11.330603908176274, 11.250561200502737, 11.736069016284437, 11.512925464970229, 11.512925464970229, 11.512925464970229, 11.553747459490484, 11.417615285165903, 11.330603908176274, 9.944309547056383, 11.330603908176274, 11.330603908176274, 11.417615285165903, 11.417615285165903, 11.330603908176274]\n",
      "81 [11.60723614444147, 11.60723614444147, 11.699255043161722, 11.736069016284437, 9.115030192171858, 11.699255043161722, 11.699255043161722, 11.699255043161722, 11.687278852115007, 11.543384672454938, 10.519673691959945, 11.59630707390928, 11.675444394468004, 11.736069016284437, 11.748647798491298]\n",
      "82 [11.736069016284437, 11.736069016284437, 11.417615285165903, 11.711376403694066, 11.761386824268728, 11.761386824268728, 11.761386824268728, 11.699255043161722, 11.761386824268728, 11.748647798491298, 11.761386824268728, 11.736069016284437]\n",
      "83 [11.841429531942264, 11.86960040890896, 11.841429531942264, 13.073573213234896, 11.841429531942264, 11.841429531942264, 11.841429531942264]\n",
      "84 [12.822258784953991, 12.0405582070526, 12.822258784953991, 12.311433161188, 12.311433161188, 12.311433161188, 12.267948049248261, 12.0576526404119, 12.0405582070526]\n",
      "85 [12.007221786785008, 12.0405582070526, 12.007221786785008, 11.81403055775415, 8.334871634622283, 11.913403031567354, 11.52297580082373, 11.913403031567354, 12.0405582070526, 12.129111604394046, 12.110762465725848, 12.110762465725848, 12.110762465725848, 12.110762465725848, 11.855415773917004, 12.007221786785008, 12.129111604394046, 11.78736231067199, 12.007221786785008]\n",
      "86 [12.0405582070526, 11.250561200502737, 12.0576526404119, 12.07504438312377, 12.07504438312377, 12.07504438312377, 12.07504438312377, 11.990961265913228, 12.07504438312377]\n",
      "87 [12.0576526404119, 12.0576526404119, 12.0405582070526, 12.0405582070526, 12.0405582070526, 12.0576526404119, 11.640758836480114]\n",
      "88 [12.0576526404119, 12.0576526404119, 12.206072645530174, 12.206072645530174, 12.0576526404119, 12.186270018233994, 11.943708381062683]\n",
      "89 [11.774290229104636, 11.711376403694066, 11.88398914636106, 11.88398914636106, 11.855415773917004, 11.78736231067199]\n",
      "90 [12.333906017040059, 12.356895535264757, 12.311433161188, 12.110762465725848, 11.330603908176274, 12.02375108873622, 12.38042603267495, 12.24689464005043, 12.110762465725848, 12.24689464005043, 12.24689464005043, 12.206072645530174, 12.24689464005043, 12.53457671250221, 12.333906017040059]\n",
      "91 [12.750799820971846, 10.871071578797833, 12.750799820971846, 12.750799820971846, 12.750799820971846, 12.750799820971846]\n",
      "92 [12.38042603267495, 12.429216196844383, 12.429216196844383, 12.652359748158593, 12.652359748158593]\n",
      "93 [12.684108446473173, 12.684108446473173, 12.684108446473173, 12.684108446473173, 12.684108446473173]\n",
      "94 [12.07504438312377, 12.07504438312377, 12.07504438312377, 12.07504438312377]\n",
      "95 [12.621588089491839, 12.684108446473173, 12.684108446473173, 12.591735126342158, 12.684108446473173, 12.621588089491839]\n",
      "96 [12.129111604394046, 12.129111604394046, 12.129111604394046, 12.129111604394046, 12.147803737406198]\n",
      "97 [12.454534004828673]\n",
      "98 [12.652359748158593, 12.652359748158593, 12.404523584254012]\n",
      "99 [12.684108446473173, 12.621588089491839, 12.591735126342158, 12.621588089491839, 10.414313176302118, 12.684108446473173, 12.750799820971846, 12.684108446473173, 12.684108446473173, 13.966333447698858, 12.652359748158593, 12.480509491231935, 12.652359748158593, 12.716898269296165, 12.684108446473173, 12.652359748158593, 12.684108446473173, 12.684108446473173, 13.122363377404328, 12.684108446473173]\n",
      "100 [12.750799820971846, 12.750799820971846, 12.822258784953991, 12.822258784953991]\n",
      "101 [12.822258784953991, 12.822258784953991, 12.822258784953991]\n",
      "102 [12.822258784953991]\n",
      "103 [12.859999112936837, 12.750799820971846]\n",
      "104 [12.859999112936837]\n",
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      "106 [12.822258784953991, 12.750799820971846]\n",
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      "109 [12.859999112936837]\n",
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      "113 [12.147803737406198, 12.226275352847694, 12.09274396022317, 12.09274396022317]\n",
      "114 [12.859999112936837]\n",
      "115 [12.98260143502917]\n",
      "116 [12.859999112936837]\n",
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      "118 [13.073573213234896]\n",
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      "120 [13.815510557964274, 13.825560893817775, 13.825560893817775]\n",
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      "122 [13.073573213234896]\n",
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      "128 [13.122363377404328]\n",
      "129 [13.17365667179188]\n",
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      "131 [13.17365667179188]\n",
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      "153 [13.284882306902103]\n",
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      "372 []\n",
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      "374 [6.571283042360924, 6.6453910145146455, 6.725433722188183, 6.6453910145146455, 6.214608098422191, 6.571283042360924, 6.6453910145146455, 6.571283042360924, 6.725433722188183, 6.812445099177812, 6.437751649736401, 6.812445099177812, 6.6453910145146455, 6.571283042360924, 6.812445099177812, 6.502290170873972, 6.6453910145146455, 6.6453910145146455, 6.6453910145146455, 6.6453910145146455, 5.991464547107982, 6.812445099177812, 6.725433722188183, 6.6453910145146455, 6.6453910145146455, 6.571283042360924, 6.571283042360924, 6.502290170873972, 6.725433722188183, 7.3232707229438025, 6.6453910145146455, 6.437751649736401, 8.740336742730447, 6.812445099177812, 6.725433722188183, 6.725433722188183, 6.812445099177812, 6.725433722188183, 6.907755278982137, 6.725433722188183, 6.437751649736401, 6.502290170873972, 6.812445099177812, 6.502290170873972, 6.502290170873972, 6.437751649736401, 6.6453910145146455, 6.437751649736401, 6.502290170873972, 6.812445099177812, 6.725433722188183, 6.725433722188183]\n",
      "375 [6.214608098422191]\n",
      "376 [5.572754212249797, 6.725433722188183]\n",
      "377 [6.812445099177812, 5.572754212249797]\n",
      "378 [6.571283042360924]\n",
      "379 [6.571283042360924, 6.2659013928097425, 6.502290170873972, 6.812445099177812, 7.05857816871672, 6.980325971816972, 7.002065958453379, 7.013115794639964, 6.959048573369688, 7.600902459542082, 6.9485772735023925, 6.9485772735023925, 6.9485772735023925, 6.938214486466846, 6.938214486466846, 6.502290170873972, 6.917805614835639, 6.9485772735023925, 6.938214486466846]\n",
      "380 [6.725433722188183, 4.866534950122499, 6.571283042360924, 6.907755278982137, 7.047017346315645, 7.002065958453379, 7.024289095238089, 6.437751649736401, 7.024289095238089, 7.487573774235079, 7.293417759794122, 7.293417759794122, 7.293417759794122, 7.293417759794122, 7.3232707229438025, 7.308232845579262, 7.293417759794122, 7.293417759794122, 7.293417759794122, 7.035588650492022]\n",
      "381 [6.074846156047033, 6.2659013928097425, 6.2659013928097425, 6.2659013928097425, 6.074846156047033]\n",
      "382 []\n",
      "383 [6.214608098422191, 6.214608098422191, 6.214608098422191, 6.214608098422191, 6.214608098422191]\n",
      "384 [7.1691200431165445, 6.214608098422191, 7.208860371766058, 7.002065958453379, 7.385791079925137, 7.250245587928913, 7.308232845579262, 7.385791079925137, 9.220390707829685, 7.195437351433918, 7.195437351433918, 7.195437351433918, 7.182192124683898, 7.195437351433918, 7.208860371766058, 6.3771270279199666, 7.143477612503207, 7.195437351433918, 7.195437351433918]\n",
      "385 [7.250245587928913, 6.6453910145146455, 7.195437351433918, 7.505592279737757, 7.542633551418106, 7.542633551418106, 7.523941418405954, 7.05857816871672]\n",
      "386 [8.111728083308073, 8.111728083308073, 8.111728083308073, 8.111728083308073]\n",
      "387 [7.09408485717363, 6.437751649736401, 6.969630682700225, 7.195437351433918, 7.156216638280637, 7.156216638280637, 7.1691200431165445, 7.082108666126914]\n",
      "388 [7.013115794639964]\n",
      "389 [6.571283042360924, 7.013115794639964]\n",
      "390 [6.6453910145146455, 6.319968614080018, 6.907755278982137, 7.013115794639964, 6.725433722188183, 6.812445099177812, 7.002065958453379, 6.6453910145146455, 6.725433722188183, 6.725433722188183]\n",
      "391 []\n",
      "392 [6.3771270279199666, 7.402051600796917, 7.435388021064509, 7.435388021064509, 6.437751649736401, 7.418580902748127, 5.809142990314028, 7.435388021064509, 7.418580902748127]\n",
      "393 []\n",
      "394 [7.523941418405954]\n",
      "395 [7.6842840684811335, 7.6842840684811335, 7.706262975199909, 7.5810998322459024, 7.706262975199909, 4.866534950122499, 7.6842840684811335, 7.751725349276666]\n",
      "396 []\n",
      "397 []\n",
      "398 []\n",
      "399 []\n",
      "400 [3.816712825623821]\n",
      "401 []\n",
      "402 [2.9187712324178623]\n",
      "403 [5.599422459331958]\n",
      "404 []\n",
      "405 []\n",
      "406 [8.947976107508692]\n",
      "407 []\n",
      "408 []\n",
      "409 []\n",
      "410 []\n",
      "411 []\n",
      "412 []\n",
      "413 [5.914503505971854, 5.426150738057921, 5.683979847360021, 5.572754212249797, 5.843044541989709, 6.319968614080018, 5.626821433520073, 5.713832810509703, 5.713832810509703, 5.572754212249797, 5.572754212249797, 5.599422459331958]\n",
      "414 []\n",
      "415 []\n",
      "416 [6.571283042360924]\n",
      "417 [5.952243833954701]\n",
      "418 [5.7763531674910364, 5.654992310486769]\n",
      "419 [5.572754212249797, 5.713832810509703]\n",
      "420 []\n",
      "421 []\n",
      "422 [12.09274396022317]\n",
      "423 [8.145629634983754, 9.511445464760104, 7.4524824544238095, 9.567015315914915, 9.965362956254216, 10.289150033348113, 9.511445464760104, 9.511445464760104, 10.48330604778907, 10.26016249647486]\n",
      "424 [8.740336742730447, 8.804875263868018, 7.621105166859602, 9.965362956254216, 8.804875263868018, 8.804875263868018]\n",
      "425 [8.145629634983754, 7.706262975199909, 8.180720954795024, 7.5810998322459024]\n",
      "426 [7.875339305243843, 7.875339305243843, 8.180720954795024, 7.523941418405954]\n",
      "427 [7.641724454062338, 7.264430222920869, 7.264430222920869, 8.078938260485081, 7.957577403480815, 7.354042381610556, 7.957577403480815, 8.679712120914012]\n",
      "428 [8.254828926948747, 7.957577403480815, 7.849363818840582, 7.875339305243843]\n",
      "429 [7.957577403480815]\n",
      "430 [8.740336742730447, 9.525051116815883, 9.525051116815883]\n",
      "431 [7.047017346315645, 9.115030192171858, 8.740336742730447, 7.236259345954173, 8.740336742730447]\n",
      "432 [7.875339305243843, 7.264430222920869, 7.902007552326004, 7.875339305243843, 7.469874197135678]\n",
      "433 [8.622553707074063, 8.622553707074063, 8.87386813535497]\n",
      "434 [8.622553707074063, 8.622553707074063, 8.622553707074063]\n",
      "435 [7.824046010856292]\n",
      "436 [7.824046010856292]\n",
      "437 [8.111728083308073]\n",
      "438 [9.210340371976184, 8.078938260485081, 7.369790738578696]\n",
      "439 [8.740336742730447, 8.740336742730447]\n",
      "440 [7.1308988302963465]\n",
      "441 []\n",
      "442 []\n",
      "443 []\n",
      "444 []\n",
      "445 [3.324236340526027, 3.3813947543659757, 3.4420193761824107, 2.9759296462578115, 3.4112477175156566, 3.7297014486341915, 3.3524072174927233, 3.3524072174927233, 3.324236340526027, 3.3524072174927233, 3.324236340526027, 3.9633162998156966, 4.422848629194137, 3.9633162998156966, 2.617295837833746, 3.3524072174927233, 5.051457288616511, 4.422848629194137, 4.422848629194137]\n",
      "446 []\n",
      "447 []\n",
      "448 []\n",
      "449 [2.577021938695806, -0.0953101798043249, -0.0953101798043249, 3.101092789211817, 3.0576076772720784, 0.0]\n",
      "450 [2.8302178350764176, 2.8302178350764176, 2.8302178350764176]\n",
      "451 [1.83258146374831]\n",
      "452 [-1.0296194171811581]\n",
      "453 []\n",
      "454 []\n",
      "455 []\n",
      "456 [1.8971199848858813]\n",
      "457 [3.863232841258714, 3.816712825623821, 3.816712825623821, 3.7722610630529876, 3.4112477175156566, 2.8134107167600364, 3.2188758248682006, 3.7297014486341915, 4.3428059215206005, 4.017383521085972, 3.816712825623821, 3.816712825623821, 4.074541934925921, 3.7722610630529876, 3.863232841258714, 4.3428059215206005, 3.6119184129778077, 3.649658740960655, 3.912023005428146, 4.017383521085972, 3.816712825623821, 3.7722610630529876, 3.7722610630529876, 3.4420193761824107, 3.7722610630529876, 3.912023005428146, 3.7722610630529876, 4.710530701645918, 4.933674252960127, 3.7722610630529876, 3.7297014486341915, 4.779523573132869, 3.9633162998156966, 3.863232841258714, 3.6119184129778077, 3.912023005428146, 3.912023005428146, 3.324236340526027, 4.8283137373023015, 3.7722610630529876]\n",
      "458 [3.3524072174927233]\n",
      "459 [3.816712825623821, 3.816712825623821, 3.123565645063876, 3.9633162998156966, 3.863232841258714, 3.1941832122778293, 4.135166556742356, 3.270169119255751, 3.575550768806933, 3.816712825623821, 3.816712825623821, 3.816712825623821, 3.6888794541139363, 3.6888794541139363, 3.816712825623821, 3.6119184129778077]\n",
      "460 [3.079113882493042]\n",
      "461 [4.017383521085972, 3.3524072174927233, 4.135166556742356, 3.9633162998156966, 3.816712825623821, 9.903487552536127, 3.473768074496991, 3.912023005428146, 3.649658740960655, 3.912023005428146, 3.7297014486341915, 3.912023005428146, 3.7297014486341915, 3.912023005428146, 3.912023005428146]\n",
      "462 [3.649658740960655, 4.268697949366879, 3.816712825623821, 3.649658740960655, 3.6119184129778077, 3.7722610630529876, 3.649658740960655, 3.6119184129778077]\n",
      "463 [4.422848629194137, 4.017383521085972, 4.3428059215206005, 4.135166556742356, 4.3428059215206005, 4.135166556742356]\n",
      "464 [3.649658740960655, 4.268697949366879]\n",
      "465 [3.4420193761824107, 3.0576076772720784, 3.912023005428146]\n",
      "466 [3.575550768806933, 4.135166556742356]\n",
      "467 []\n",
      "468 [4.135166556742356, 2.7488721956224653, 3.123565645063876, 4.509860006183766, 4.074541934925921]\n",
      "469 [4.853631545286591, 2.7806208939370456, 3.3813947543659757, 4.803621124711929]\n",
      "470 [4.017383521085972, 3.146555163288575]\n",
      "471 []\n",
      "472 [4.853631545286591]\n",
      "473 [4.268697949366879, 3.6888794541139363, 3.6888794541139363]\n",
      "474 [2.6310891599660815, 2.659260036932778, 2.900422093749666, 3.1700856606987684, 1.3470736479666092, 2.9187712324178623, 2.7806208939370456, 2.2072749131897207, 1.83258146374831, 5.051457288616511, 3.1941832122778293, 2.6882475738060303, 2.501036031717884, 2.501036031717884, 2.501036031717884, 4.422848629194137, 2.3538783873815965, 2.501036031717884, 2.120263536200091, 3.1941832122778293, 2.9565115604007097, 2.7488721956224653, 3.1941832122778293, 3.2188758248682006, 3.1941832122778293]\n",
      "475 [2.501036031717884, 2.302585092994046, 2.396895772465287, 2.5383074265151158, 2.4304184645039304, 2.4418471603275536, 0.1392620673335076, 2.120263536200091, 2.120263536200091, 2.4418471603275536, 2.4769384801388235, 2.4418471603275536]\n",
      "476 [1.469675970058942, 1.469675970058942, 1.469675970058942, 1.3862943611198906, 1.7147984280919264, 1.3093333199837622, 1.469675970058942, 1.83258146374831, 1.0788096613719298, 1.2729656758128876, 1.5606477482646683, 1.3862943611198906, 0.8675005677047231, 1.3093333199837622, 1.3862943611198906, 1.7147984280919264, 1.1711829815029449, 1.1711829815029449, 0.9675840262617057, 1.1711829815029449, 3.4420193761824107, 1.2729656758128876, 1.1394342831883646, 1.6094379124341003, 0.9416085398584448, 2.375155785828881, 2.577021938695806, 1.3862943611198906, 1.3862943611198906, 1.3093333199837622]\n",
      "477 [1.6094379124341003]\n",
      "478 [2.120263536200091]\n",
      "479 [2.2072749131897207, 2.2072749131897207, 2.2072749131897207, 2.120263536200091, 1.1394342831883646, 2.302585092994046, 2.5383074265151158, 1.8971199848858813, 2.302585092994046, 1.83258146374831, 2.312635428847547, 2.4769384801388235, 2.0402208285265546, 2.0402208285265546, 1.7719568419318752, 2.0402208285265546, 4.199705077879927, 2.2072749131897207, 2.0402208285265546, 2.4769384801388235, 3.0576076772720784, 2.312635428847547, 2.4769384801388235, 2.4769384801388235, 2.4769384801388235, 2.120263536200091]\n",
      "480 [0.9942522733438668]\n",
      "481 [1.6094379124341003, 1.6094379124341003, 1.7719568419318752, 1.7719568419318752, 1.83258146374831, 1.469675970058942, 1.7147984280919264, 1.8971199848858813, 2.0402208285265546, 1.6094379124341003, 2.2072749131897207, 0.6733445532637655, 1.3093333199837622, 4.268697949366879, 1.8971199848858813, 1.3862943611198906, 1.3862943611198906, 1.3862943611198906, 3.506557897319982, 0.49429632181478017, 0.6733445532637655, 3.3813947543659757, 0.5798184952529422, 1.0498221244986776, 4.961845129926823, 2.2072749131897207, 3.2968373663379125, 2.302585092994046]\n",
      "482 [0.49429632181478017, 4.667045589706179]\n",
      "483 [-0.587786664902119]\n",
      "484 [0.28768207245178085, 0.28768207245178085, 0.4155154439616658, 0.18632957819149334, 0.8915981192837835, 0.16251892949777474, -0.6931471805599453, 0.5276327420823718, 0.6931471805599453, -0.0953101798043249, 0.18632957819149334, 0.09431067947124121, 0.6348782724359694, -0.0953101798043249, -0.0953101798043249, -0.3364722366212129, -0.0953101798043249, 3.324236340526027, -0.0953101798043249, 0.27443684570176036, 0.06187540371808745, -0.6418538861723948, 6.571283042360924, -2.0281482472922856, 0.10536051565782635]\n",
      "485 []\n",
      "486 []\n",
      "487 []\n",
      "488 [-0.8329091229351039, -0.9932517730102834, -0.7419373447293773, -0.6418538861723948, -2.2407096892759584, -2.3025850929940455, -2.70805020110221, -2.70805020110221, -0.7884573603642702, -2.2407096892759584, 5.381698975487088, -1.8870696490323797]\n",
      "489 [-5.886104031450156, -5.521460917862246]\n",
      "490 [-4.605170185988091]\n",
      "491 [0.37106368139083185, 0.28768207245178085, 0.6161861394238168, 5.403677882205863, 1.0788096613719298, 0.6733445532637655, 0.09431067947124121, -0.0953101798043249, -0.6418538861723948, 0.0, 0.0, -0.3364722366212129, 0.0, -0.7419373447293773, -0.0953101798043249, -0.40546510810816444, 0.0, 0.010050335853501286]\n",
      "492 [-0.3364722366212129, -0.4700036292457356, 0.10536051565782635, -0.5306282510621704, 0.19845093872383823, -2.2925347571405443, -0.1823215567939546, -0.5306282510621704, -0.8754687373538999, -1.3862943611198906, -2.1400661634962708, -2.2823823856765264, -4.406719247264253]\n",
      "493 []\n",
      "494 []\n",
      "495 []\n",
      "496 [-8.536995818712418]\n",
      "497 nan\n",
      "498 [-0.6418538861723948]\n",
      "499 [-2.70805020110221, -2.70805020110221, -2.70805020110221, 0.18632957819149334]\n",
      "500 [-2.833213344056216, -2.890371757896165, -2.3025850929940455, -2.833213344056216, -4.418840607796598, -4.127134385045092, 4.645992180508347, 1.3862943611198906]\n",
      "501 [-2.995732273553991, -2.5649493574615367, -1.824549292051046, -2.5649493574615367, -3.0910424533583156, -3.0910424533583156, -3.367295829986474, -3.0910424533583156, -4.867534450455582, -2.890371757896165, -2.9444389791664407, 6.437751649736401, -2.995732273553991, 7.106206217705975]\n",
      "502 [-3.4965075614664802, -3.044522437723423]\n",
      "503 []\n",
      "504 []\n",
      "505 []\n",
      "506 [-0.8329091229351039, -5.799092654460526]\n",
      "507 [-5.19295685089021, -8.66561319653451, -4.867534450455582, -4.941642422609305]\n",
      "508 [-3.367295829986474, -2.995732273553991, -3.332204510175204, -4.941642422609305]\n",
      "509 [-3.4011973816621555, -3.1780538303479458, -3.4011973816621555, -2.890371757896165, -2.5649493574615367, -4.23410650459726, -2.5649493574615367, -5.19295685089021]\n",
      "510 nan\n",
      "511 [-2.9444389791664407, -8.389359819906353]\n",
      "512 []\n",
      "513 []\n",
      "514 []\n",
      "515 [5.278514739251857, 6.165817934252759]\n",
      "516 [5.44914025628262, 5.360192770266124]\n",
      "517 []\n",
      "518 []\n",
      "519 []\n",
      "520 []\n",
      "521 []\n",
      "522 []\n",
      "523 []\n",
      "524 []\n",
      "525 []\n",
      "526 []\n",
      "527 [11.543384672454938, 11.543384672454938, 11.543384672454938, 11.543384672454938, 11.574800868688316, 9.446062705497253, 11.748647798491298, 11.543384672454938, 11.543384672454938, 11.533128172287748, 11.652187532303737, 11.574800868688316, 11.663748354704813]\n",
      "528 [8.016417903503749, 8.016417903503749, 8.016417903503749, 7.986564940354067, 7.986564940354067, 7.986564940354067, 7.986564940354067, 8.016417903503749, 7.986564940354067, 7.929406526514119, 7.957577403480815, 7.986564940354067, 7.957577403480815, 7.986564940354067, 7.986564940354067, 7.986564940354067, 7.706262975199909, 8.016417903503749, 7.706262975199909, 7.986564940354067, 8.016417903503749]\n",
      "529 [4.3428059215206005]\n",
      "530 [-0.6931471805599453, -0.7419373447293773, -0.7884573603642702, -0.6931471805599453, -0.5306282510621704, 3.324236340526027, -0.7419373447293773, 0.24846135929849955, -0.6931471805599453, -0.9555114450274365, -0.6931471805599453, -0.4700036292457356, -0.7884573603642702, -0.7884573603642702, -0.7884573603642702, -0.8329091229351039, -0.7884573603642702, -0.8329091229351039, 2.577021938695806, -0.6418538861723948, -1.0296194171811581, -0.4700036292457356, -0.7884573603642702, -0.7419373447293773, -0.6418538861723948, -0.3364722366212129, -0.7884573603642702]\n",
      "531 [-0.6418538861723948, -0.6418538861723948, -0.6931471805599453, -0.587786664902119, -0.5306282510621704, -0.587786664902119, -0.6418538861723948, -0.6418538861723948, -0.0953101798043249, -0.587786664902119, -0.2623642644674911, -0.6418538861723948, -0.6418538861723948, -0.6418538861723948, -0.6418538861723948, -0.8329091229351039, -0.7419373447293773, -0.6418538861723948, 3.0576076772720784, -0.2623642644674911, -0.40546510810816444, -0.6931471805599453, -0.4700036292457356, -0.1823215567939546, -0.6418538861723948]\n",
      "532 [-0.3364722366212129, -0.2623642644674911, -0.3364722366212129, -0.3364722366212129, -0.40546510810816444, -0.1823215567939546, -0.40546510810816444, -0.1823215567939546, -0.9932517730102834, -0.3364722366212129, -0.2623642644674911, -0.40546510810816444, -0.4700036292457356, -0.3364722366212129, 3.473768074496991, -0.0953101798043249, -0.40546510810816444]\n",
      "533 [-0.2623642644674911, -0.2623642644674911, -0.1823215567939546, -0.0953101798043249, 0.38566248081198456, 1.7147984280919264, 6.907755278982137, 0.5621189181535412, -0.0953101798043249, 0.08338160893905121, 0.23572233352106978, -0.1823215567939546, -0.1823215567939546, -0.1823215567939546, -0.5306282510621704, 0.1278333715098848, -0.1823215567939546]\n",
      "534 []\n",
      "535 [-0.1823215567939546, -0.2623642644674911, -0.1823215567939546, -0.0953101798043249, 0.0, -0.2623642644674911, -0.0953101798043249, 0.19845093872383823, -0.0953101798043249, 0.19845093872383823, -0.1823215567939546, 1.9661128563728327, -0.0953101798043249, 0.49429632181478017, -0.1823215567939546, 0.6348782724359694, -0.1823215567939546, -0.0953101798043249, -0.0953101798043249, -0.3364722366212129, -0.1823215567939546, -0.0953101798043249, 0.3147107448397002, 0.18632957819149334, -0.1823215567939546, -0.1823215567939546, -0.1823215567939546, -0.587786664902119]\n",
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      "537 [0.0, 0.0, 1.5141277326297755, -0.0953101798043249, 0.9942522733438668, 0.0, 0.22314355131420976, 0.18632957819149334, 0.3147107448397002, 0.3147107448397002, 0.3147107448397002, 0.22314355131420976, 0.0408219945202552]\n",
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      "539 [0.0, 0.21072103131565253, 0.28768207245178085, 0.06187540371808745, 0.05129329438755048, 0.17435338714477774, 0.10536051565782635, 0.24846135929849955, 0.18632957819149334, 0.18632957819149334, 0.24846135929849955, 0.27443684570176036, 0.21072103131565253, 0.10536051565782635, 0.0408219945202552]\n",
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      "541 [0.47803580094299963]\n",
      "542 [0.3566749439387322, 0.3566749439387322]\n",
      "543 []\n",
      "544 [0.3566749439387322]\n",
      "545 [0.342490308946776, 0.3285040669720359]\n",
      "546 []\n",
      "547 [1.6607312068216509]\n",
      "548 [0.5621189181535412, 0.6733445532637655, 0.9416085398584448, 0.9416085398584448, 0.020202707317519254, 0.44628710262841936, 0.37106368139083185, 0.5447271754416722, 0.6348782724359694, 0.6348782724359694, 0.27443684570176036, 0.44628710262841936, 0.44628710262841936, 0.6348782724359694, 0.37106368139083185]\n",
      "549 []\n",
      "550 [1.469675970058942, 1.6094379124341003, 0.9416085398584448]\n",
      "551 [1.469675970058942]\n",
      "552 []\n",
      "553 [1.1711829815029449, 1.1711829815029449]\n",
      "554 []\n",
      "555 [1.5606477482646683, 1.5141277326297755, 1.5141277326297755]\n",
      "556 [1.2378743560016174, 1.2378743560016174]\n",
      "557 []\n",
      "558 []\n",
      "559 []\n",
      "560 []\n",
      "561 [1.203972804325936]\n",
      "562 []\n",
      "563 [0.9675840262617057, 1.0216512475319812, 0.1508228897345837, 1.7147984280919264, 0.47803580094299963, 0.47803580094299963, 0.47803580094299963, 0.7133498878774646, 0.6348782724359694, 0.6539264674066639, 0.16251892949777474, 0.6931471805599453]\n",
      "564 []\n",
      "565 []\n",
      "566 []\n",
      "567 [0.37106368139083185]\n",
      "568 []\n",
      "569 []\n",
      "570 []\n",
      "571 []\n",
      "572 []\n",
      "573 []\n",
      "574 []\n",
      "575 []\n",
      "576 []\n",
      "577 []\n",
      "578 []\n",
      "579 []\n",
      "580 []\n",
      "581 []\n",
      "582 []\n",
      "583 []\n",
      "584 []\n",
      "585 []\n",
      "586 []\n",
      "587 []\n",
      "588 []\n",
      "589 []\n",
      "590 []\n",
      "591 []\n",
      "592 []\n",
      "593 []\n",
      "594 []\n",
      "595 []\n",
      "596 []\n",
      "597 []\n",
      "598 []\n",
      "599 []\n",
      "600 []\n",
      "601 []\n",
      "602 [1.5606477482646683, 1.6607312068216509, 0.43078291609245417, 0.9162907318741551, 0.9675840262617057, 1.4271163556401458, 0.8915981192837835, 0.8915981192837835, 0.47803580094299963, 0.9162907318741551]\n",
      "603 [1.3093333199837622, 1.3093333199837622]\n",
      "604 []\n",
      "605 []\n",
      "606 []\n",
      "607 []\n",
      "608 []\n",
      "609 []\n",
      "610 [2.2072749131897207]\n",
      "611 []\n",
      "612 []\n",
      "613 []\n",
      "614 []\n",
      "615 []\n",
      "616 []\n",
      "617 []\n",
      "618 []\n",
      "619 []\n",
      "620 []\n",
      "621 []\n",
      "622 []\n",
      "623 [0.9675840262617057]\n",
      "624 []\n",
      "625 []\n",
      "626 []\n",
      "627 []\n",
      "628 []\n",
      "629 []\n",
      "630 []\n",
      "631 []\n",
      "632 []\n",
      "633 []\n",
      "634 []\n",
      "635 []\n",
      "636 []\n",
      "637 []\n",
      "638 []\n",
      "639 []\n",
      "640 []\n",
      "641 []\n",
      "642 []\n",
      "643 []\n",
      "644 []\n",
      "645 []\n",
      "646 []\n",
      "647 []\n",
      "648 []\n",
      "649 []\n",
      "650 []\n",
      "651 []\n",
      "652 []\n",
      "653 []\n",
      "654 []\n",
      "655 []\n",
      "656 []\n",
      "657 []\n",
      "658 []\n",
      "659 []\n",
      "660 []\n",
      "661 []\n",
      "662 []\n",
      "663 []\n",
      "664 [2.2072749131897207, 1.9661128563728327, 1.1394342831883646, 1.2729656758128876, 0.5276327420823718, 1.2378743560016174]\n",
      "665 []\n",
      "666 []\n",
      "667 []\n",
      "668 []\n",
      "669 []\n",
      "670 []\n",
      "671 []\n",
      "672 []\n",
      "673 []\n",
      "674 []\n",
      "675 []\n",
      "676 []\n",
      "677 []\n",
      "678 []\n",
      "679 []\n",
      "680 []\n",
      "681 []\n",
      "682 []\n",
      "683 []\n",
      "684 []\n",
      "685 []\n",
      "686 []\n",
      "687 []\n",
      "688 []\n",
      "689 []\n",
      "690 []\n",
      "691 []\n",
      "692 []\n",
      "693 []\n",
      "694 []\n",
      "695 []\n",
      "696 []\n",
      "697 []\n",
      "698 []\n",
      "699 []\n",
      "700 []\n",
      "701 []\n",
      "702 []\n",
      "703 []\n",
      "704 []\n",
      "705 []\n",
      "706 []\n",
      "707 []\n",
      "708 []\n",
      "709 []\n",
      "710 []\n",
      "711 []\n",
      "712 [2.577021938695806, 2.7333680090865, 1.1711829815029449, 1.6607312068216509, 0.9942522733438668, 1.6607312068216509]\n",
      "713 []\n",
      "714 []\n",
      "715 []\n",
      "716 []\n",
      "717 []\n",
      "718 []\n",
      "719 []\n",
      "720 []\n",
      "721 []\n",
      "722 []\n",
      "723 []\n",
      "724 []\n",
      "725 []\n",
      "726 []\n",
      "727 []\n",
      "728 []\n",
      "729 []\n",
      "730 []\n",
      "731 []\n",
      "732 []\n",
      "733 []\n",
      "734 []\n",
      "735 []\n",
      "736 []\n",
      "737 []\n",
      "738 []\n",
      "739 []\n",
      "740 []\n",
      "741 []\n",
      "742 []\n",
      "743 []\n",
      "744 []\n",
      "745 []\n",
      "746 []\n",
      "747 []\n",
      "748 []\n",
      "749 []\n",
      "750 []\n",
      "751 []\n",
      "752 []\n",
      "753 []\n",
      "754 []\n",
      "755 []\n",
      "756 []\n",
      "757 [0.8209805520698301, 1.9661128563728327, 2.2072749131897207]\n",
      "758 []\n",
      "759 []\n",
      "760 [2.7806208939370456, 1.5141277326297755, -8.268731832117737]\n",
      "761 [1.5141277326297755, -8.006367567650246]\n",
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      "765 []\n",
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      "770 [-0.7884573603642702, -1.5040773967762742, -1.5040773967762742, -1.252762968495368, -0.5306282510621704, -1.2809338454620642, -1.410986973710262]\n",
      "771 [-1.4350845252893227]\n",
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      "775 []\n",
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      "780 [-1.3350010667323402, -2.1972245773362196]\n",
      "781 []\n",
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      "783 [-0.916290731874155]\n",
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      "788 []\n",
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      "790 []\n",
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      "795 [-3.332204510175204, -1.8562979903656263, -3.4011973816621555, -2.9444389791664407, -1.4350845252893227, -4.394449154672439, -1.4350845252893227, -2.772588722239781, -2.70805020110221, -2.833213344056216, -2.0281482472922856, -2.995732273553991, -3.2188758248682006, -2.9444389791664407, -2.9444389791664407, -1.2237754316221157, -2.3978952727983707, -4.499809670330265, -1.5686159179138452, -0.6418538861723948, -2.9444389791664407, -3.2188758248682006, -3.4011973816621555, -3.6109179126442243, -3.2188758248682006, -2.0281482472922856, -2.0281482472922856, -3.044522437723423, -2.0281482472922856, -2.772588722239781]\n",
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      "863 [-25.013725278094803]\n",
      "864 []\n",
      "865 [-26.689412576070104]\n",
      "866 [-26.85449232642955]\n",
      "867 [-27.230543549331422]\n",
      "868 [-7.438383530044308]\n",
      "869 []\n",
      "870 [-9.546812608597396]\n",
      "871 []\n",
      "872 []\n",
      "873 []\n",
      "874 []\n",
      "875 [-34.12326095094902]\n",
      "876 [-35.1265630598128]\n",
      "877 [-34.433415879252856]\n",
      "878 []\n",
      "879 []\n",
      "880 []\n",
      "881 []\n",
      "882 []\n",
      "883 []\n",
      "884 []\n",
      "885 []\n",
      "886 []\n",
      "887 []\n",
      "888 [-11.918390573078392]\n",
      "889 []\n",
      "890 []\n",
      "891 []\n",
      "892 nan\n",
      "893 nan\n",
      "894 [-5.8289456176102075]\n",
      "895 [-7.600902459542082, -13.270783382522602]\n",
      "896 [-9.011889433252344, -7.495541943884256, -5.075173815233827, -3.8066624897703196]\n",
      "897 [-11.512925464970229, -11.350406535472453, -8.517193191416238, -11.06663836234181, -11.302204433654575]\n",
      "898 [-12.468436909997665, -12.429216196844383, -10.373491181781864, -12.429216196844383, -12.468436909997665]\n",
      "899 [-11.05089000537367]\n",
      "900 []\n",
      "901 []\n",
      "902 []\n",
      "903 []\n",
      "904 []\n",
      "905 []\n",
      "906 []\n",
      "907 [-1.0647107369924282, -1.0986122886681098, -1.0986122886681098, -1.1314021114911006, -0.916290731874155, -2.4849066497880004, -1.1314021114911006, -1.0986122886681098]\n",
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      "910 [-11.502875129116727, -8.389359819906353]\n",
      "911 []\n",
      "912 []\n",
      "913 [-5.3471075307174685]\n",
      "914 []\n",
      "915 []\n",
      "916 []\n",
      "917 [6.917805614835639, 6.917805614835639, 6.917805614835639]\n",
      "918 [-3.4657359027997265, -3.4657359027997265, -3.4657359027997265, -3.4657359027997265, -3.4657359027997265, -3.5553480614894135, -3.5263605246161616, -3.970291913552122, -4.59511985013459, -3.4339872044851463, -3.4339872044851463, -3.4011973816621555, -0.8329091229351039, -3.367295829986474, -4.07753744390572, -3.8066624897703196, -4.941642422609305, 3.1700856606987684, -4.127134385045092]\n",
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      "920 [2.312635428847547, 2.312635428847547, 2.0402208285265546, 2.396895772465287, 2.0402208285265546, 2.0402208285265546, 2.0402208285265546, 2.5902671654458267, 2.0402208285265546, 4.3428059215206005, 1.83258146374831, 2.9565115604007097, 3.6119184129778077, 2.0402208285265546, 2.0402208285265546]\n",
      "921 [2.3538783873815965, 2.3538783873815965, 2.796881414808826, 2.419118909249997, 2.3538783873815965, 2.4534079827286295, 2.7488721956224653, 2.7333680090865, 2.7333680090865, 2.302585092994046, 2.703062659591171, 2.9187712324178623, 2.4534079827286295, 2.4534079827286295]\n",
      "922 [5.132802928070463, 3.4112477175156566, 3.3813947543659757, 2.995732273553991, 2.900422093749666, 2.703062659591171, 2.9759296462578115]\n",
      "923 [2.6882475738060303, 3.2441936328524905, 2.645075401940822, 2.7646205525906042, 2.703062659591171, 2.8473122684357177, 2.7488721956224653, 2.703062659591171, 3.123565645063876, 2.703062659591171]\n",
      "924 [3.7722610630529876]\n",
      "925 [3.863232841258714, 3.649658740960655, 3.912023005428146, 3.6888794541139363]\n",
      "926 [3.4420193761824107, 3.0159349808715104, 3.079113882493042, 2.8473122684357177, 3.3524072174927233, 3.036554268074246, 3.079113882493042, 3.9633162998156966, 3.079113882493042]\n",
      "927 []\n",
      "928 [3.4112477175156566, 3.2968373663379125, 2.8134107167600364, 2.9187712324178623, 3.2968373663379125, 3.7722610630529876, 3.2968373663379125]\n",
      "929 [3.863232841258714, 3.863232841258714, 3.9633162998156966, 2.5902671654458267, 3.540459448995663, 3.9633162998156966, -0.6931471805599453, 3.9633162998156966]\n",
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      "931 [4.422848629194137]\n",
      "932 []\n",
      "933 [5.44914025628262, 5.115995809754082, 1.7719568419318752, 5.2030071867437115]\n",
      "934 nan\n",
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      "936 [3.036554268074246, 2.7488721956224653, 3.1700856606987684, 2.9565115604007097]\n",
      "937 []\n",
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    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "939 []\n",
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      "941 [0.0]\n",
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      "950 []\n",
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      "968 []\n",
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      "994 []\n",
      "995 nan\n",
      "996 nan\n",
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      "999 [2.577021938695806]\n",
      "1000 []\n",
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      "1031 []\n",
      "1032 []\n",
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      "1034 []\n",
      "1035 []\n",
      "1036 []\n",
      "1037 []\n",
      "1038 []\n",
      "1039 []\n",
      "1040 []\n",
      "1041 []\n",
      "1042 []\n",
      "1043 [2.659260036932778]\n",
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      "1046 []\n",
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      "1051 []\n",
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      "1060 []\n",
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      "1064 []\n",
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      "1079 []\n",
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      "1082 []\n",
      "1083 []\n",
      "1084 []\n",
      "1085 [-14.151982794585487]\n",
      "1086 []\n",
      "1087 [-1.8870696490323797, 1.9661128563728327]\n",
      "1088 []\n",
      "1089 []\n",
      "1090 [-6.684611727667927, -6.536691597591305, -0.587786664902119]\n",
      "1091 [-5.0106352940962555, -5.19295685089021, -2.639057329615259]\n",
      "1092 [-7.3777589082278725]\n",
      "1093 [-13.102160670086809]\n",
      "1094 []\n",
      "1095 []\n",
      "1096 [-3.367295829986474]\n",
      "1097 []\n",
      "1098 []\n",
      "1099 []\n",
      "1100 []\n",
      "1101 []\n",
      "1102 [-3.891820298110627]\n",
      "1103 []\n",
      "1104 [-15.623799329143539, -15.775605342011543, -10.341742483467284, -11.141861783579396]\n",
      "1105 [-19.755681810684706, -18.34811005111753]\n",
      "1106 [-17.111347423968603, -17.529082624668582, -16.811242831518264]\n",
      "1107 [-16.759949537130716, -17.7473361906886, -16.99356438831222]\n",
      "1108 [-14.557447902693651, -18.0051652999907, -2.3978952727983707, -12.100712129872347]\n",
      "1109 [-18.209959712636714]\n",
      "1110 [-18.159315979817958]\n",
      "1111 [-18.304146927696415]\n",
      "1112 [-18.146243898250606]\n",
      "1113 [-18.75715298057358]\n",
      "1114 [-3.367295829986474]\n",
      "1115 [-2.1162555148025524, -1.9878743481543455, -3.1780538303479458, -2.1162555148025524, -1.8718021769015913]\n",
      "1116 []\n",
      "1117 []\n",
      "1118 []\n",
      "1119 [3.1941832122778293, 3.1941832122778293, 3.1941832122778293, 3.2441936328524905, 3.0159349808715104, 3.0159349808715104, 3.123565645063876, 3.123565645063876, 3.123565645063876]\n",
      "1120 [3.3813947543659757, 3.3813947543659757, 6.2659013928097425, 3.0159349808715104, 3.0159349808715104, 3.473768074496991, 3.3524072174927233, 6.571283042360924, 3.473768074496991]\n",
      "1121 [3.649658740960655, 3.649658740960655, 3.863232841258714, 3.6119184129778077, 3.6119184129778077]\n",
      "1122 [4.422848629194137, 4.422848629194137]\n",
      "1123 [4.017383521085972, 4.017383521085972, 4.074541934925921, 4.074541934925921]\n",
      "1124 [4.268697949366879]\n",
      "1125 []\n",
      "1126 [4.199705077879927, 4.199705077879927]\n",
      "1127 []\n",
      "1128 [2.513306124309698, 2.120263536200091, 2.7181005369557116, 2.563949857128453, 2.4534079827286295, 2.2072749131897207, 2.2072749131897207, 2.2072749131897207, 2.5257286443082556]\n",
      "1129 [2.8302178350764176, 2.7806208939370456, 2.9759296462578115, 2.8302178350764176, 3.123565645063876, 3.146555163288575, 2.8473122684357177, 2.8647040111475865, 2.603690185777967, 2.617295837833746, 2.617295837833746, 1.0216512475319812, 3.0576076772720784, 2.4304184645039304, 2.8473122684357177]\n",
      "1130 [2.645075401940822]\n",
      "1131 [3.101092789211817, 3.101092789211817, 3.079113882493042, 3.079113882493042, 2.995732273553991, 2.995732273553991, 3.123565645063876, 3.101092789211817]\n",
      "1132 [2.577021938695806]\n",
      "1133 [3.3524072174927233, 3.540459448995663, 3.3524072174927233]\n",
      "1134 [-2.1972245773362196]\n",
      "1135 []\n",
      "1136 []\n",
      "1137 [3.7297014486341915, 3.3524072174927233, 3.863232841258714, 3.7722610630529876, 3.3524072174927233, 3.4420193761824107, 3.4420193761824107, 3.6119184129778077, 3.506557897319982, 3.3524072174927233, 3.863232841258714, 3.3524072174927233]\n",
      "1138 [3.7722610630529876]\n",
      "1139 []\n",
      "1140 [3.9633162998156966, 3.9633162998156966, 3.816712825623821, 3.816712825623821]\n",
      "1141 [3.3813947543659757, 3.575550768806933, 3.7297014486341915, 3.7297014486341915, 3.6888794541139363, 3.575550768806933]\n",
      "1142 []\n",
      "1143 []\n",
      "1144 [3.649658740960655, 3.649658740960655, 3.863232841258714, 4.074541934925921, 3.7297014486341915, 4.074541934925921]\n",
      "1145 [4.199705077879927, 5.259096653394756, 5.259096653394756, 4.017383521085972, 4.017383521085972]\n",
      "1146 [4.074541934925921]\n",
      "1147 []\n",
      "1148 [-6.063785208687608]\n",
      "1149 []\n",
      "1150 [0.10536051565782635]\n",
      "1151 [4.509860006183766, 4.509860006183766]\n",
      "1152 []\n",
      "1153 []\n",
      "1154 [-0.40546510810816444]\n",
      "1155 [-0.587786664902119]\n",
      "1156 [-3.332204510175204]\n",
      "1157 [-4.787491742782046]\n",
      "1158 []\n",
      "1159 []\n",
      "1160 []\n",
      "1161 [2.8647040111475865, 2.796881414808826, 2.796881414808826, 2.796881414808826, 2.8473122684357177, 2.8647040111475865]\n",
      "1162 []\n",
      "1163 [3.1941832122778293, 3.2441936328524905, 3.270169119255751, 3.270169119255751, 3.2968373663379125, 3.101092789211817, 3.270169119255751]\n",
      "1164 [3.6888794541139363, 3.6888794541139363, 3.6888794541139363]\n",
      "1165 [4.074541934925921, 4.074541934925921, 4.074541934925921]\n",
      "1166 []\n",
      "1167 [4.268697949366879, 4.422848629194137, 4.268697949366879]\n",
      "1168 [-2.833213344056216]\n",
      "1169 []\n",
      "1170 [3.2968373663379125, 3.036554268074246, 3.2968373663379125, 3.036554268074246]\n",
      "1171 [3.540459448995663, 3.7297014486341915, 3.6888794541139363, 3.7297014486341915, 3.7297014486341915, 3.575550768806933, 3.6119184129778077, 3.6119184129778077]\n",
      "1172 [4.135166556742356, 3.9633162998156966, 3.9633162998156966]\n",
      "1173 []\n",
      "1174 [4.605170185988092, 4.933674252960127, 4.961845129926823]\n",
      "1175 []\n",
      "1176 []\n",
      "1177 nan\n",
      "1178 [-3.6109179126442243]\n",
      "1179 []\n",
      "1180 [3.473768074496991, 3.473768074496991]\n",
      "1181 [3.575550768806933, 3.575550768806933, 3.540459448995663, 3.6119184129778077]\n",
      "1182 [4.721704002244043, 3.6119184129778077]\n",
      "1183 []\n",
      "1184 []\n",
      "1185 [3.9633162998156966, 3.6119184129778077, 3.6119184129778077]\n",
      "1186 [4.268697949366879, 4.017383521085972, 4.017383521085972]\n",
      "1187 []\n",
      "1188 [3.912023005428146, 3.912023005428146, 3.912023005428146, 3.912023005428146]\n",
      "1189 [4.615220521841593, 4.3428059215206005]\n",
      "1190 [4.509860006183766, 4.422848629194137]\n",
      "1191 []\n",
      "1192 []\n",
      "1193 [4.961845129926823]\n",
      "1194 [4.3428059215206005]\n",
      "1195 []\n",
      "1196 [4.509860006183766, 4.268697949366879, 5.744604469176457]\n",
      "1197 [4.268697949366879, 4.074541934925921]\n",
      "1198 [4.7914997641795845]\n",
      "1199 [4.866534950122499]\n",
      "1200 [4.866534950122499]\n",
      "1201 [4.947660494934867]\n",
      "1202 [5.809142990314028]\n",
      "1203 [5.298317366548036]\n",
      "1204 [5.843044541989709]\n",
      "1205 []\n",
      "1206 []\n",
      "1207 [6.3771270279199666]\n",
      "1208 [6.907755278982137]\n",
      "1209 [7.435388021064509]\n",
      "1210 []\n",
      "1211 []\n",
      "1212 [1.2729656758128876]\n",
      "1213 [2.7806208939370456]\n",
      "1214 [4.3428059215206005]\n",
      "1215 [5.240048458424061]\n",
      "1216 [5.521460917862246, 2.577021938695806]\n",
      "1217 []\n",
      "1218 []\n",
      "1219 [2.2072749131897207]\n",
      "1220 [-1.589235205116581]\n",
      "1221 [3.0159349808715104, 2.9565115604007097, 2.9565115604007097]\n",
      "1222 [3.540459448995663, 3.540459448995663, 3.540459448995663]\n",
      "1223 [3.863232841258714]\n",
      "1224 [4.135166556742356]\n",
      "1225 [3.7722610630529876]\n",
      "1226 [-7.090076835776092]\n",
      "1227 [4.074541934925921, 4.135166556742356]\n",
      "1228 []\n",
      "1229 []\n",
      "1230 []\n",
      "1231 [3.912023005428146]\n",
      "1232 [3.9633162998156966]\n",
      "1233 []\n",
      "1234 [3.146555163288575, 3.473768074496991, 3.473768074496991, 3.506557897319982, 3.473768074496991]\n",
      "1235 [3.4112477175156566]\n",
      "1236 [3.473768074496991]\n",
      "1237 [3.9633162998156966, 4.135166556742356, 3.912023005428146, 4.135166556742356, 4.074541934925921, 4.074541934925921]\n",
      "1238 []\n",
      "1239 [1.203972804325936, 1.203972804325936, 1.203972804325936, 1.2729656758128876, 0.5798184952529422, 1.1711829815029449, 0.5798184952529422]\n",
      "1240 [2.3330443004787544, 2.3330443004787544, 1.6607312068216509, 1.6607312068216509]\n",
      "1241 [-2.3978952727983707]\n",
      "1242 []\n",
      "1243 [2.577021938695806]\n",
      "1244 []\n",
      "1245 []\n",
      "1246 [-0.587786664902119, -0.587786664902119]\n",
      "1247 [-3.891820298110627, -4.532599493153256, -2.995732273553991, -4.605170185988091, -4.394449154672439, -4.51085950651685, -4.51085950651685, -3.912023005428146, -2.1972245773362196, -3.367295829986474, -3.4011973816621555, -3.1354942159291497, -3.912023005428146]\n",
      "1248 [-4.605170185988091]\n",
      "1249 []\n",
      "1250 [-2.772588722239781, -3.0910424533583156, -3.713572066704308, -3.6109179126442243, -3.044522437723423, -4.605170185988091, -6.194405391104673, -2.4849066497880004, -2.4849066497880004, 1.5606477482646683, 0.5447271754416722]\n",
      "1251 [-2.890371757896165, -1.1939224684724346, -3.4657359027997265]\n",
      "1252 [-3.5553480614894135, -3.1354942159291497, -3.5553480614894135]\n",
      "1253 [-3.1354942159291497]\n",
      "1254 [-2.2300144001592104, -1.7047480922384253, -3.0910424533583156, -3.295836866004329, -2.0149030205422647, -2.3978952727983707, -3.0910424533583156, -2.995732273553991, -5.560681631015528, -2.0281482472922856, 1.83258146374831, -3.5263605246161616]\n",
      "1255 [-1.252762968495368, -2.0149030205422647, -3.9889840465642745]\n",
      "1256 []\n",
      "1257 []\n",
      "1258 []\n",
      "1259 [-4.605170185988091, -2.0281482472922856, -2.0149030205422647, -2.9444389791664407, -1.589235205116581, -2.5649493574615367, -2.054123733695546, -2.2617630984737906]\n",
      "1260 [0.9675840262617057, -0.3364722366212129, 1.5141277326297755]\n",
      "1261 [-0.7419373447293773, -3.2188758248682006]\n",
      "1262 []\n",
      "1263 [-4.59511985013459]\n",
      "1264 []\n",
      "1265 [0.5276327420823718]\n",
      "1266 [-1.3350010667323402, 2.3434070875143007, 1.3862943611198906, 2.3434070875143007, -0.587786664902119, -0.587786664902119, -3.5263605246161616]\n",
      "1267 [1.1394342831883646, 1.3862943611198906]\n",
      "1268 []\n",
      "1269 [-3.6109179126442243, 0.5447271754416722, -2.639057329615259, 1.3862943611198906, 0.5447271754416722, -3.6109179126442243, 0.40047756659712525, 2.9187712324178623, -3.0910424533583156, -3.5263605246161616, -4.406719247264253]\n",
      "1270 []\n",
      "1271 [2.2072749131897207]\n",
      "1272 [-1.8870696490323797, 2.2072749131897207]\n",
      "1273 [3.079113882493042]\n",
      "1274 [-2.1972245773362196, -3.6375861597263857, 3.079113882493042]\n",
      "1275 [-3.4965075614664802, 3.912023005428146]\n",
      "1276 [5.626821433520073]\n",
      "1277 []\n",
      "1278 [-3.6375861597263857]\n",
      "1279 []\n",
      "1280 [-3.4011973816621555]\n",
      "1281 []\n",
      "1282 []\n",
      "1283 []\n",
      "1284 []\n",
      "1285 []\n",
      "1286 [-3.1354942159291497]\n",
      "1287 []\n",
      "1288 []\n",
      "1289 []\n",
      "1290 []\n",
      "1291 []\n",
      "1292 []\n",
      "1293 []\n",
      "1294 []\n",
      "1295 []\n",
      "1296 []\n",
      "1297 [-0.9932517730102834]\n",
      "1298 []\n",
      "1299 []\n",
      "1300 []\n",
      "1301 []\n",
      "1302 []\n",
      "1303 []\n",
      "1304 []\n",
      "1305 []\n",
      "1306 []\n",
      "1307 []\n",
      "1308 [-5.3471075307174685]\n",
      "1309 []\n",
      "1310 []\n",
      "1311 []\n",
      "1312 []\n",
      "1313 [-3.1354942159291497]\n",
      "1314 []\n",
      "1315 []\n",
      "1316 []\n",
      "1317 []\n",
      "1318 []\n",
      "1319 []\n",
      "1320 []\n",
      "1321 []\n",
      "1322 [-8.66561319653451]\n",
      "1323 [6.3771270279199666, 2.577021938695806, 2.0402208285265546, 4.615220521841593, 4.62537289330561, 4.615220521841593]\n",
      "1324 []\n",
      "1325 [5.298317366548036, 4.509860006183766, 2.3538783873815965, 4.509860006183766, 4.961845129926823, 5.06720564558465, 4.853631545286591, 4.509860006183766, 4.509860006183766, 4.744432253321599, 4.509860006183766, 4.509860006183766, 4.866534950122499, 5.115995809754082]\n",
      "1326 [4.3428059215206005]\n",
      "1327 [5.005647752585217, 5.005647752585217]\n",
      "1328 [4.422848629194137]\n",
      "1329 [7.523941418405954]\n",
      "1330 [5.426150738057921]\n",
      "1331 []\n",
      "1332 [4.074541934925921, 3.4420193761824107, 4.509860006183766, 4.509860006183766, 4.422848629194137, 4.268697949366879, 4.933674252960127, 4.074541934925921, 3.7722610630529876, 4.135166556742356, 4.268697949366879, 4.135166556742356, 4.268697949366879, 3.912023005428146, 4.074541934925921]\n",
      "1333 [4.755993075722675, 4.755993075722675, 4.866534950122499]\n",
      "1334 [5.051457288616511, 4.853631545286591, 4.853631545286591]\n",
      "1335 [5.06720564558465, 5.426150738057921, 5.099466507802871, 5.472670753692815, 5.599422459331958]\n",
      "1336 [4.755993075722675, 5.259096653394756, 4.605170185988092, 4.961845129926823, 4.8158912173037445, 5.298317366548036]\n",
      "1337 [5.809142990314028, 5.843044541989709, 6.119297918617867, 5.546778725846536, 5.546778725846536, 5.1672891041416324, 5.843044541989709, 5.8781358618009785, 6.2659013928097425, 5.403677882205863, 5.843044541989709]\n",
      "1338 [5.546778725846536, 5.44914025628262, 5.360192770266124, 5.339139361068292, 5.472670753692815, 5.426150738057921, 5.8781358618009785, 5.44914025628262, 5.546778725846536, 5.7763531674910364, 5.546778725846536, 6.917805614835639, 6.927957986299656, 5.1672891041416324, 6.917805614835639]\n",
      "1339 []\n",
      "1340 [6.119297918617867, 6.6453910145146455, 6.165817934252759, 6.165817934252759, 6.437751649736401, 6.437751649736401]\n",
      "1341 []\n",
      "1342 []\n",
      "1343 [5.0206856299497575]\n",
      "1344 []\n",
      "1345 []\n",
      "1346 []\n",
      "1347 []\n",
      "1348 [2.796881414808826, 2.8647040111475865]\n",
      "1349 [0.37106368139083185]\n",
      "1350 [2.302585092994046, 2.302585092994046]\n",
      "1351 [1.83258146374831, 1.83258146374831, 2.120263536200091]\n",
      "1352 [0.44628710262841936]\n",
      "1353 []\n",
      "1354 []\n",
      "1355 [-1.252762968495368, -2.5649493574615367, -0.9932517730102834]\n",
      "1356 [-1.5686159179138452, -2.3978952727983707]\n",
      "1357 [-1.5686159179138452]\n",
      "1358 [0.010050335853501286]\n",
      "1359 [-7.24422751560335]\n",
      "1360 []\n",
      "1361 [6.502290170873972]\n",
      "1362 [5.403677882205863]\n",
      "1363 []\n",
      "1364 [3.540459448995663, 3.649658740960655, 3.4420193761824107, 3.473768074496991, 3.2188758248682006, 6.074846156047033, 6.074846156047033, 2.6736487743848776, 3.6888794541139363]\n",
      "1365 [4.074541934925921, 3.816712825623821, 3.7722610630529876, 4.074541934925921]\n",
      "1366 nan\n",
      "1367 [-5.298317366548036]\n",
      "1368 []\n",
      "1369 [-1.2809338454620642]\n",
      "1370 [2.312635428847547]\n",
      "1371 [-1.62924053973028, -1.9740810260220096]\n",
      "1372 [-0.587786664902119]\n",
      "1373 [3.3524072174927233, 3.2968373663379125, 2.2072749131897207, 3.2968373663379125]\n",
      "1374 [-2.4849066497880004]\n",
      "1375 []\n",
      "1376 []\n",
      "1377 []\n",
      "1378 []\n",
      "1379 []\n",
      "1380 []\n",
      "1381 [-4.787491742782046]\n",
      "1382 []\n",
      "1383 [2.8473122684357177, 2.488914671185539, 2.4534079827286295, 2.995732273553991]\n",
      "1384 [1.9661128563728327, 2.120263536200091, 2.120263536200091, 2.120263536200091, 2.9565115604007097, 2.9759296462578115]\n",
      "1385 [0.47803580094299963, 0.5447271754416722, 0.5447271754416722, 0.47803580094299963]\n",
      "1386 [6.319968614080018, 6.319968614080018, 6.319968614080018, 6.319968614080018]\n",
      "1387 [3.0576076772720784, 2.645075401940822, 2.6310891599660815, 2.396895772465287]\n",
      "1388 [-0.9555114450274365, -0.9932517730102834, -0.9932517730102834]\n",
      "1389 [1.5141277326297755, 1.9661128563728327]\n",
      "1390 [1.469675970058942]\n",
      "1391 [6.502290170873972]\n",
      "1392 []\n",
      "1393 [2.302585092994046, 2.302585092994046, 2.5383074265151158]\n",
      "1394 nan\n",
      "1395 nan\n",
      "1396 []\n",
      "1397 []\n",
      "1398 [-0.8329091229351039, -0.3364722366212129, -0.7419373447293773, -0.3364722366212129, -0.7884573603642702, -0.6418538861723948, -0.0953101798043249, -0.6931471805599453, -0.7884573603642702, -0.3364722366212129]\n",
      "1399 [-1.0296194171811581]\n",
      "1400 [-5.66988092298052, -4.941642422609305]\n",
      "1401 [2.8302178350764176, 2.882403588246988, 2.120263536200091, 2.5902671654458267, 3.6119184129778077, 2.603690185777967, 2.5510464522925456]\n",
      "1402 [2.407945608651872, 2.4651040224918206, 4.656463480375642, 2.4651040224918206, 2.513306124309698]\n",
      "1403 [-2.890371757896165]\n",
      "1404 [1.3862943611198906]\n",
      "1405 []\n",
      "1406 []\n",
      "1407 []\n",
      "1408 [2.577021938695806]\n",
      "1409 [0.7985076962177716]\n",
      "1410 [1.0216512475319812]\n",
      "1411 [-1.4816045409242156, -1.410986973710262, 0.5108256237659906, -1.4350845252893227, 0.30110509278392145]\n",
      "1412 [0.9162907318741551]\n",
      "1413 [3.2441936328524905, 2.603690185777967, 1.9661128563728327]\n",
      "1414 [2.120263536200091, -0.0953101798043249, 0.6161861394238168, 0.19845093872383823]\n",
      "1415 [3.7722610630529876, 3.7297014486341915, 2.9187712324178623]\n",
      "1416 [1.2729656758128876]\n",
      "1417 [0.0]\n",
      "1418 [-0.1823215567939546]\n",
      "1419 [-4.700480365792417, -4.700480365792417]\n",
      "1420 [-5.634789603169249, -5.634789603169249]\n",
      "1421 [-6.016157159698353, -6.897704943128636]\n",
      "1422 [-5.768320995793772, -3.5263605246161616, -5.91350300563827]\n",
      "1423 [-8.039157390473237, -8.039157390473237, -8.006367567650246, -8.039157390473237, -8.039157390473237, -8.039157390473237]\n",
      "1424 []\n",
      "1425 [-4.787491742782046]\n",
      "1426 []\n",
      "1427 [0.9416085398584448]\n",
      "1428 []\n",
      "1429 [-14.403297222866394]\n",
      "1430 [-1.4816045409242156, 8.421883011611913, -2.639057329615259]\n",
      "1431 []\n",
      "1432 []\n",
      "1433 []\n",
      "1434 [-19.41393251696265]\n",
      "1435 [-2.186051276738094, -3.4965075614664802]\n",
      "1436 []\n",
      "1437 []\n",
      "1438 []\n",
      "1439 []\n",
      "1440 []\n",
      "1441 [-5.247024072160486]\n",
      "1442 [2.900422093749666]\n",
      "1443 nan\n",
      "1444 []\n",
      "1445 [0.5621189181535412]\n",
      "1446 []\n",
      "1447 []\n",
      "1448 []\n",
      "1449 []\n",
      "1450 []\n",
      "1451 []\n",
      "1452 []\n",
      "1453 []\n",
      "1454 []\n",
      "1455 []\n",
      "1456 []\n",
      "1457 []\n",
      "1458 [-6.1092475827643655]\n",
      "1459 [-2.9444389791664407]\n",
      "1460 [-7.495541943884256]\n",
      "1461 [3.863232841258714]\n",
      "1462 []\n",
      "1463 []\n",
      "1464 []\n",
      "1465 [0.9416085398584448]\n",
      "1466 [-0.7419373447293773]\n",
      "1467 []\n",
      "1468 []\n",
      "1469 []\n",
      "1470 [-5.135798437050262]\n",
      "1471 []\n",
      "1472 [-2.0412203288596382, -2.2082744135228043, -2.2617630984737906, -2.0412203288596382, -3.713572066704308, -1.6094379124341003]\n",
      "1473 []\n",
      "1474 [-2.0412203288596382, -1.9600947840472698, -2.3025850929940455]\n",
      "1475 [-3.6109179126442243, -3.912023005428146, -4.787491742782046]\n",
      "1476 []\n",
      "1477 []\n",
      "1478 []\n",
      "1479 [1.6607312068216509]\n",
      "1480 [-4.499809670330265]\n",
      "1481 []\n",
      "1482 []\n",
      "1483 [-8.45531778769815]\n",
      "1484 []\n",
      "1485 [-9.392661928770137]\n",
      "1486 [-5.8289456176102075]\n",
      "1487 [-6.709304340258298]\n",
      "1488 []\n",
      "1489 [-4.605170185988091]\n",
      "1490 []\n",
      "1491 []\n",
      "1492 []\n",
      "1493 [-0.9932517730102834]\n",
      "1494 []\n",
      "1495 []\n",
      "1496 []\n",
      "1497 []\n",
      "1498 [-6.363028103540465]\n",
      "1499 []\n",
      "1500 []\n",
      "1501 []\n",
      "1502 []\n",
      "1503 []\n",
      "1504 []\n",
      "1505 []\n",
      "1506 []\n",
      "1507 []\n",
      "1508 []\n",
      "1509 []\n",
      "1510 []\n",
      "1511 []\n",
      "1512 []\n",
      "1513 []\n",
      "1514 [-4.189654742026425]\n",
      "1515 []\n",
      "1516 []\n",
      "1517 []\n",
      "1518 []\n",
      "1519 []\n",
      "1520 []\n",
      "1521 [-7.24422751560335]\n",
      "1522 []\n",
      "1523 [-12.429216196844383]\n",
      "1524 []\n",
      "1525 []\n",
      "1526 []\n",
      "1527 []\n",
      "1528 []\n",
      "1529 []\n",
      "1530 []\n",
      "1531 []\n",
      "1532 []\n",
      "1533 []\n",
      "1534 []\n",
      "1535 []\n",
      "1536 []\n",
      "1537 []\n",
      "1538 []\n",
      "1539 []\n",
      "1540 []\n",
      "1541 []\n",
      "1542 []\n",
      "1543 []\n",
      "1544 []\n",
      "1545 [-5.0106352940962555]\n",
      "1546 []\n",
      "1547 [-18.951308995014536]\n",
      "1548 [-10.51867319162636, -5.886104031450156]\n",
      "1549 []\n",
      "1550 []\n",
      "1551 [-1.824549292051046]\n",
      "1552 []\n",
      "1553 []\n",
      "1554 []\n",
      "1555 []\n",
      "1556 [3.3813947543659757]\n",
      "1557 []\n",
      "1558 []\n",
      "1559 [-0.3364722366212129]\n",
      "1560 []\n",
      "1561 []\n",
      "1562 []\n",
      "1563 []\n",
      "1564 []\n",
      "1565 []\n",
      "1566 []\n",
      "1567 []\n",
      "1568 []\n",
      "1569 []\n",
      "1570 []\n",
      "1571 []\n",
      "1572 []\n",
      "1573 []\n",
      "1574 []\n",
      "1575 []\n",
      "1576 [1.5141277326297755]\n",
      "1577 []\n",
      "1578 []\n",
      "1579 []\n",
      "1580 []\n",
      "1581 []\n",
      "1582 []\n",
      "1583 []\n",
      "1584 [-4.330733340286331]\n",
      "1585 [-6.1092475827643655]\n",
      "1586 []\n",
      "1587 []\n",
      "1588 [-23.85876005287556]\n",
      "1589 []\n",
      "1590 [-0.40546510810816444]\n",
      "1591 [4.017383521085972]\n",
      "1592 []\n",
      "1593 []\n",
      "1594 [-2.3025850929940455]\n",
      "1595 []\n",
      "1596 []\n",
      "1597 []\n",
      "1598 []\n",
      "1599 []\n",
      "1600 []\n",
      "1601 []\n",
      "1602 []\n",
      "1603 []\n",
      "1604 []\n",
      "1605 []\n",
      "1606 []\n",
      "1607 []\n",
      "1608 []\n",
      "1609 []\n",
      "1610 []\n",
      "1611 [-45.00187973538224]\n",
      "1612 []\n",
      "1613 [2.7181005369557116]\n",
      "1614 []\n",
      "1615 []\n",
      "1616 []\n",
      "1617 []\n",
      "1618 []\n",
      "1619 [-8.85366542803745]\n",
      "1620 []\n",
      "1621 []\n",
      "1622 []\n",
      "1623 [-10.51867319162636]\n",
      "1624 [-1.1939224684724346]\n",
      "1625 [1.0498221244986776, 0.1165338162559514, 0.1165338162559514, 0.1278333715098848, -0.3364722366212129]\n",
      "1626 [1.0498221244986776, 0.22314355131420976, 0.010050335853501286, 1.203972804325936, 0.010050335853501286, 0.22314355131420976]\n",
      "1627 []\n",
      "1628 []\n",
      "1629 [0.19845093872383823]\n",
      "1630 [-0.587786664902119]\n",
      "1631 [0.27443684570176036]\n",
      "1632 [0.6931471805599453, 0.4155154439616658, 0.24846135929849955, 0.24846135929849955, 0.40047756659712525]\n",
      "1633 [1.5141277326297755]\n",
      "1634 []\n",
      "1635 [0.5798184952529422, 0.6539264674066639, 0.5798184952529422, 0.43078291609245417, 1.5141277326297755, 0.7985076962177716, 0.4155154439616658, 0.6539264674066639]\n",
      "1636 [0.9162907318741551, 2.7333680090865]\n",
      "1637 [0.3285040669720359]\n",
      "1638 [1.2729656758128876]\n",
      "1639 []\n",
      "1640 []\n",
      "1641 [-7.313220387090301]\n",
      "1642 []\n",
      "1643 []\n",
      "1644 [0.9162907318741551, 1.1711829815029449, 0.9162907318741551, 0.9162907318741551]\n",
      "1645 []\n",
      "1646 [1.1394342831883646, 0.9942522733438668, 1.1394342831883646]\n",
      "1647 []\n",
      "1648 []\n",
      "1649 []\n",
      "1650 [1.4271163556401458, 1.4271163556401458]\n",
      "1651 [1.6607312068216509, 1.6607312068216509]\n",
      "1652 []\n",
      "1653 [2.407945608651872]\n",
      "1654 [1.203972804325936, 0.5798184952529422, 0.5798184952529422, 0.5621189181535412]\n",
      "1655 [0.9416085398584448, -0.2623642644674911, 0.9675840262617057, 1.8971199848858813, 0.9416085398584448]\n",
      "1656 [1.6607312068216509, 1.6607312068216509]\n",
      "1657 []\n",
      "1658 []\n",
      "1659 [2.385966701933097]\n",
      "1660 [3.649658740960655, 3.649658740960655]\n",
      "1661 []\n",
      "1662 [0.0, 2.2072749131897207, 2.120263536200091, 2.120263536200091, 2.3330443004787544]\n",
      "1663 nan\n",
      "1664 nan\n",
      "1665 []\n",
      "1666 [3.270169119255751]\n",
      "1667 [2.577021938695806, 2.3538783873815965, 2.322787800311565, 1.8971199848858813, 2.407945608651872]\n",
      "1668 [2.7181005369557116, 2.645075401940822, 2.645075401940822, 2.385966701933097]\n",
      "1669 [0.9162907318741551, 10.126631103850338, 10.126631103850338]\n",
      "1670 [-1.3862943611198906]\n",
      "1671 [-8.66561319653451]\n",
      "1672 [0.6161861394238168, 0.6161861394238168]\n",
      "1673 [1.1086626245216111]\n",
      "1674 []\n",
      "1675 [-0.8754687373538999, -0.7884573603642702, 0.06187540371808745, 0.05129329438755048]\n",
      "1676 []\n",
      "1677 nan\n",
      "1678 [0.8675005677047231]\n",
      "1679 [-8.732304571033183]\n",
      "1680 [1.8971199848858813]\n",
      "1681 []\n",
      "1682 []\n",
      "1683 []\n",
      "1684 []\n",
      "1685 [-1.6486586255873819, -0.1823215567939546, -1.6094379124341003, -0.0953101798043249, -1.5260563034950492, -1.791759469228055, -1.791759469228055, 9.552830680922959, -1.791759469228055, -1.7047480922384253, -1.2237754316221157, 9.552830680922959, 2.501036031717884, 2.501036031717884, -1.4586150226995167]\n",
      "1686 [-1.6094379124341003, -2.3978952727983707, -1.410986973710262, -2.3978952727983707, -2.3978952727983707, -1.2237754316221157, -1.5260563034950492]\n",
      "1687 [-1.7749523509116738, -1.3609765531356006, -1.3609765531356006]\n",
      "1688 [-2.5649493574615367, -1.4816045409242156, -0.40546510810816444, -0.40546510810816444, -0.4700036292457356, -1.6094379124341003]\n",
      "1689 []\n",
      "1690 [-1.1314021114911006, -1.1314021114911006]\n",
      "1691 [-0.8754687373538999, 1.9661128563728327, -0.8754687373538999]\n",
      "1692 [-1.667706820558076]\n",
      "1693 []\n",
      "1694 [-1.3609765531356006, 2.8473122684357177, 2.8473122684357177, -0.9932517730102834]\n",
      "1695 [-1.3609765531356006]\n",
      "1696 nan\n",
      "1697 [-2.1972245773362196]\n",
      "1698 [-7.24422751560335, -4.330733340286331]\n",
      "1699 [-8.935903526274423, -9.472704636443673]\n",
      "1700 []\n",
      "1701 []\n",
      "1702 []\n",
      "1703 []\n",
      "1704 []\n",
      "1705 []\n",
      "1706 [-5.8289456176102075]\n",
      "1707 [0.1392620673335076, 0.1392620673335076, -0.0953101798043249]\n",
      "1708 [0.0]\n",
      "1709 [1.7719568419318752, 2.4651040224918206, 2.4651040224918206, 2.0402208285265546, 1.83258146374831, 1.9661128563728327]\n",
      "1710 []\n",
      "1711 []\n",
      "1712 []\n",
      "1713 []\n",
      "1714 []\n",
      "1715 []\n",
      "1716 []\n",
      "1717 []\n",
      "1718 []\n",
      "1719 []\n",
      "1720 nan\n",
      "1721 []\n",
      "1722 []\n",
      "1723 [2.9565115604007097, 0.7765287894989965, 0.7765287894989965]\n",
      "1724 [-5.075173815233827, -3.044522437723423, -4.477336814478207]\n",
      "1725 [-4.787491742782046, -4.787491742782046]\n",
      "1726 []\n",
      "1727 []\n",
      "1728 []\n",
      "1729 []\n",
      "1730 []\n",
      "1731 [-1.308332819650179, -3.367295829986474, -3.367295829986474, -1.252762968495368, -1.252762968495368]\n",
      "1732 [-14.603967918328545, -12.468436909997665, -14.603967918328545, -3.2188758248682006]\n",
      "1733 []\n",
      "1734 [-3.044522437723423, -7.9724660159745655]\n",
      "1735 []\n",
      "1736 [0.3566749439387322]\n",
      "1737 []\n",
      "1738 []\n",
      "1739 []\n",
      "1740 []\n",
      "1741 [-12.154779351142624]\n",
      "1742 []\n",
      "1743 []\n",
      "1744 [-7.24422751560335]\n",
      "1745 []\n",
      "1746 []\n",
      "1747 []\n",
      "1748 []\n",
      "1749 []\n",
      "1750 [-4.248495242049359]\n",
      "1751 []\n",
      "1752 [-4.787491742782046]\n",
      "1753 []\n",
      "1754 []\n",
      "1755 []\n",
      "1756 []\n",
      "1757 []\n",
      "1758 [0.0]\n",
      "1759 []\n",
      "1760 []\n",
      "1761 []\n",
      "1762 []\n",
      "1763 []\n",
      "1764 []\n",
      "1765 []\n",
      "1766 [-1.4350845252893227]\n",
      "1767 [-0.4700036292457356]\n",
      "1768 [-1.589235205116581]\n",
      "1769 []\n",
      "1770 [-1.0296194171811581, -0.6931471805599453]\n",
      "1771 [1.4271163556401458]\n",
      "1772 []\n",
      "1773 []\n",
      "1774 []\n",
      "1775 []\n",
      "1776 [-18.951308995014536]\n",
      "1777 [-3.4339872044851463]\n",
      "1778 []\n",
      "1779 []\n",
      "1780 []\n",
      "1781 []\n",
      "1782 []\n",
      "1783 [0.5978370007556204, 0.49429632181478017, 0.49429632181478017]\n",
      "1784 []\n",
      "1785 [-0.0953101798043249, 3.079113882493042, 0.5978370007556204, 0.19845093872383823, -0.0953101798043249, 0.342490308946776, -0.0953101798043249, -0.0953101798043249, 0.1165338162559514, -0.0953101798043249]\n",
      "1786 [-1.4350845252893227]\n",
      "1787 [0.010050335853501286, 0.010050335853501286, 1.0788096613719298, 0.010050335853501286]\n",
      "1788 [0.8675005677047231, -0.2623642644674911, -0.2623642644674911, 0.6161861394238168, -0.2623642644674911]\n",
      "1789 [-0.5306282510621704, -0.5306282510621704, -0.4700036292457356, -0.3364722366212129]\n",
      "1790 [-10.668955394675699]\n",
      "1791 []\n",
      "1792 [0.5108256237659906, 0.5108256237659906]\n",
      "1793 [0.05129329438755048, 0.05129329438755048]\n",
      "1794 [-0.1823215567939546, -0.1823215567939546]\n",
      "1795 [-0.3364722366212129, -0.3364722366212129, -0.3364722366212129]\n",
      "1796 [0.010050335853501286, -0.40546510810816444, -0.40546510810816444, -0.40546510810816444]\n",
      "1797 [-0.0953101798043249, -0.0953101798043249]\n",
      "1798 [0.4155154439616658, 0.05129329438755048, 0.06187540371808745, 0.05129329438755048]\n",
      "1799 [-0.9932517730102834, -0.9932517730102834]\n",
      "1800 [-0.3364722366212129, -0.3364722366212129]\n",
      "1801 [0.6539264674066639]\n",
      "1802 [-0.0953101798043249, 2.8647040111475865, 2.8647040111475865, -0.0953101798043249]\n",
      "1803 [0.28768207245178085, 0.28768207245178085]\n",
      "1804 [7.1308988302963465, 1.2729656758128876]\n",
      "1805 []\n",
      "1806 [-17.622173047734595, -22.531554608125678]\n",
      "1807 []\n",
      "1808 [-20.12542883619079]\n",
      "1809 [-3.58351893845611]\n",
      "1810 [-2.3978952727983707]\n",
      "1811 [-2.9444389791664407, -1.9600947840472698, -1.9600947840472698, -2.70805020110221]\n",
      "1812 [-1.5040773967762742]\n",
      "1813 [-1.3862943611198906]\n",
      "1814 [-1.9600947840472698, -1.7047480922384253]\n",
      "1815 [0.020202707317519254]\n",
      "1816 [-0.6931471805599453]\n",
      "1817 []\n",
      "1818 []\n",
      "1819 []\n",
      "1820 []\n",
      "1821 [-1.547562508716013]\n",
      "1822 [0.21072103131565253]\n",
      "1823 [-1.7578579175523736, -3.6375861597263857, -3.6375861597263857, -1.791759469228055, -1.8562979903656263, -3.6109179126442243, -3.6888794541139363]\n",
      "1824 [2.9565115604007097, 2.9565115604007097]\n",
      "1825 []\n",
      "1826 []\n",
      "1827 []\n",
      "1828 []\n",
      "1829 []\n",
      "1830 []\n",
      "1831 [-4.605170185988091]\n",
      "1832 [-4.532599493153256, 2.7181005369557116, 2.7181005369557116, 2.7806208939370456]\n",
      "1833 []\n",
      "1834 [-18.51599092375669]\n",
      "1835 []\n",
      "1836 []\n",
      "1837 [-19.296149481306266]\n",
      "1838 []\n",
      "1839 []\n",
      "1840 []\n",
      "1841 [-3.4965075614664802, -3.4965075614664802]\n",
      "1842 [-4.787491742782046]\n",
      "1843 []\n",
      "1844 []\n",
      "1845 []\n",
      "1846 []\n",
      "1847 []\n",
      "1848 []\n",
      "1849 []\n",
      "1850 []\n",
      "1851 [1.7719568419318752, 2.2072749131897207, 2.5902671654458267, 2.120263536200091, 2.385966701933097, 2.603690185777967, 2.2072749131897207]\n",
      "1852 [0.6539264674066639, 0.6539264674066639, 0.6931471805599453, 0.6733445532637655, 0.7550225842780328, 0.5108256237659906, 0.6539264674066639, 0.7133498878774646, 0.6348782724359694, 0.7765287894989965, 0.7339691750802005, 0.6348782724359694, 3.2968373663379125, 0.6931471805599453, 1.2378743560016174, 1.2378743560016174, 1.0216512475319812, 0.7133498878774646, 1.2378743560016174]\n",
      "1853 [0.843970070294529, 1.1086626245216111, 1.3862943611198906, 1.6607312068216509, 1.3470736479666092, 1.1711829815029449, 1.1711829815029449, 1.7719568419318752, 1.3470736479666092, 1.3093333199837622]\n",
      "1854 [1.3093333199837622, 2.0402208285265546, 1.6607312068216509, 1.9661128563728327, 1.6607312068216509, 1.6607312068216509, 1.6607312068216509]\n",
      "1855 [2.364460496712133]\n",
      "1856 [1.9661128563728327, 1.83258146374831, 1.8971199848858813]\n",
      "1857 []\n",
      "1858 []\n",
      "1859 []\n",
      "1860 []\n",
      "1861 []\n",
      "1862 []\n",
      "1863 []\n",
      "1864 [6.319968614080018, 6.319968614080018]\n",
      "1865 [-9.011889433252344, -5.480638923341991, -5.480638923341991]\n",
      "1866 [2.120263536200091, 2.0402208285265546, 2.501036031717884, 2.396895772465287, 2.0402208285265546, 2.322787800311565, 2.2072749131897207, 2.2072749131897207, 2.2072749131897207, 2.407945608651872]\n",
      "1867 [2.9187712324178623, 3.2188758248682006]\n",
      "1868 [1.2378743560016174, 1.6607312068216509, 1.6607312068216509, 0.9416085398584448, 1.6607312068216509, 1.6607312068216509, 0.6931471805599453, 4.017383521085972, 0.8915981192837835]\n",
      "1869 []\n",
      "1870 []\n",
      "1871 []\n",
      "1872 [0.27443684570176036]\n",
      "1873 []\n",
      "1874 [2.659260036932778]\n",
      "1875 []\n",
      "1876 []\n",
      "1877 [3.540459448995663]\n",
      "1878 []\n",
      "1879 [-8.85366542803745]\n",
      "1880 []\n",
      "1881 [-15.555976732804778, -16.11809565095832, -16.11809565095832]\n",
      "1882 [-11.002099841204238]\n",
      "1883 [-16.300417207752275]\n",
      "1884 []\n",
      "1885 []\n",
      "1886 []\n",
      "1887 [-8.575462099540212, -7.937374696163295, -7.937374696163295]\n",
      "1888 [-7.313220387090301, -6.194405391104673]\n",
      "1889 [-1.8082887711792655, -1.6486586255873819, 1.203972804325936, 1.203972804325936]\n",
      "1890 [-5.247024072160486]\n",
      "1891 [-5.247024072160486]\n",
      "1892 [2.4534079827286295]\n",
      "1893 [1.3470736479666092]\n",
      "1894 [-8.612503371220562, -8.83927669058535, -10.341742483467284, -8.83927669058535]\n",
      "1895 []\n",
      "1896 [-5.0106352940962555]\n",
      "1897 [-5.075173815233827, -5.393627546352362]\n",
      "1898 [-8.070906088787817, -5.438079308923196]\n",
      "1899 []\n",
      "1900 []\n",
      "1901 [-4.499809670330265]\n",
      "1902 []\n",
      "1903 [0.9416085398584448, -0.587786664902119]\n",
      "1904 [-5.247024072160486]\n",
      "1905 []\n",
      "1906 []\n",
      "1907 [-1.7227665977411035, -0.3364722366212129]\n",
      "1908 [-12.429216196844383]\n",
      "1909 []\n",
      "1910 []\n",
      "1911 []\n",
      "1912 [-4.382026634673881]\n",
      "1913 []\n",
      "1914 [-4.605170185988091]\n",
      "1915 [-6.0867747269123065]\n",
      "1916 [-2.0918640616783932]\n",
      "1917 []\n",
      "1918 []\n",
      "1919 [-12.676076274775909]\n",
      "1920 [-0.5306282510621704]\n",
      "1921 [-0.6931471805599453]\n",
      "1922 [0.010050335853501286]\n",
      "1923 [-3.7612001156935624]\n",
      "1924 [-3.5553480614894135]\n",
      "1925 [-5.247024072160486]\n",
      "1926 []\n",
      "1927 [-7.901007051992421]\n",
      "1928 [-0.1823215567939546]\n",
      "1929 [-0.587786664902119, -1.0296194171811581, -1.0296194171811581, -0.4700036292457356]\n",
      "1930 []\n",
      "1931 [-16.454567887579532]\n",
      "1932 []\n",
      "1933 [-10.203592144986466]\n",
      "1934 []\n",
      "1935 []\n",
      "1936 []\n",
      "1937 [-10.308952660644293]\n",
      "1938 []\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1939 []\n",
      "1940 []\n",
      "1941 []\n",
      "1942 [-11.097410021008562]\n",
      "1943 []\n",
      "1944 []\n",
      "1945 []\n",
      "1946 [-9.998797732340453, -10.757902880692196, -10.596634733096073]\n",
      "1947 []\n",
      "1948 []\n",
      "1949 [-2.4849066497880004]\n",
      "1950 [-4.499809670330265]\n",
      "1951 [-5.0106352940962555, -4.787491742782046]\n",
      "1952 []\n",
      "1953 [-13.652991628466498]\n",
      "1954 [0.23572233352106978]\n",
      "1955 []\n",
      "1956 []\n",
      "1957 []\n",
      "1958 [0.3285040669720359]\n",
      "1959 []\n",
      "1960 []\n",
      "1961 []\n",
      "1962 [-1.6486586255873819]\n",
      "1963 []\n",
      "1964 []\n",
      "1965 [-9.392661928770137]\n",
      "1966 []\n",
      "1967 []\n",
      "1968 []\n",
      "1969 []\n",
      "1970 []\n",
      "1971 [-6.76849321164863, -8.216088098632316]\n",
      "1972 []\n",
      "1973 []\n",
      "1974 []\n",
      "1975 [-8.268731832117737]\n",
      "1976 [-13.415032991367148]\n",
      "1977 [-6.063785208687608]\n",
      "1978 [-4.007333185232471]\n",
      "1979 [-4.51085950651685]\n",
      "1980 [-10.757902880692196]\n",
      "1981 []\n",
      "1982 []\n",
      "1983 [-7.9724660159745655, -13.142166004700508, -8.867850063029406, -2.0412203288596382]\n",
      "1984 []\n",
      "1985 [-7.549609165154532]\n",
      "1986 [-12.542544882151386]\n",
      "1987 []\n",
      "1988 []\n",
      "1989 [-9.615805480084347]\n",
      "1990 [4.744432253321599, 4.744432253321599, 4.199705077879927]\n",
      "1991 [-4.59511985013459, -8.1886891244442, -9.998797732340453, -7.740664401917241, -6.646390514847729, -7.740664401917241, -8.160518247477505]\n",
      "1992 []\n",
      "1993 [-4.59511985013459, -9.998797732340453, -9.903487552536127, -7.600902459542082]\n",
      "1994 [-4.700480365792417, -5.736572297479192]\n",
      "1995 [-5.0106352940962555]\n",
      "1996 []\n",
      "1997 [-11.302204433654575, -11.461632170582678, -11.608235644774554]\n",
      "1998 []\n",
      "1999 []\n",
      "2000 []\n",
      "2001 [-3.8501476017100584]\n",
      "2002 []\n",
      "2003 []\n",
      "2004 []\n",
      "2005 [-11.918390573078392]\n",
      "2006 [-0.6931471805599453, -0.6931471805599453]\n",
      "2007 []\n",
      "2008 [-11.608235644774554]\n",
      "2009 []\n",
      "2010 []\n",
      "2011 [-8.101677747454572, -10.596634733096073, -11.350406535472453]\n",
      "2012 [-4.204692619390966]\n",
      "2013 [1.6607312068216509]\n",
      "2014 []\n",
      "2015 [-16.300417207752275]\n",
      "2016 [-12.92391243868049, -12.506177237980511]\n",
      "2017 [-17.840862248699423]\n",
      "2018 [-5.393627546352362]\n",
      "2019 []\n",
      "2020 []\n",
      "2021 []\n",
      "2022 [-9.305650551780507]\n",
      "2023 [-16.951004773893423, -9.392661928770137]\n",
      "2024 [-6.907755278982137]\n",
      "2025 [-9.392661928770137]\n",
      "2026 []\n",
      "2027 []\n",
      "2028 []\n",
      "2029 [-23.85876005287556]\n",
      "2030 []\n",
      "2031 [-7.901007051992421]\n",
      "2032 [-7.649692623711514]\n",
      "2033 []\n",
      "2034 []\n",
      "2035 []\n",
      "2036 [-9.472704636443673]\n",
      "2037 []\n",
      "2038 [-4.418840607796598]\n",
      "2039 [-10.621327345686446]\n",
      "2040 []\n",
      "2041 []\n",
      "2042 [-6.633318433280377]\n",
      "2043 []\n",
      "2044 []\n",
      "2045 []\n",
      "2046 [-9.740968623038354]\n",
      "2047 []\n",
      "2048 []\n",
      "2049 []\n",
      "2050 []\n",
      "2051 []\n",
      "2052 []\n",
      "2053 []\n",
      "2054 []\n",
      "2055 [-25.510757579728455]\n",
      "2056 []\n",
      "2057 [-24.278613898435825]\n",
      "2058 []\n",
      "2059 []\n",
      "2060 []\n",
      "2061 []\n",
      "2062 [-13.102160670086809]\n",
      "2063 []\n",
      "2064 []\n",
      "2065 [-9.137769679141348]\n",
      "2066 [-5.966146739123692]\n",
      "2067 [-5.0106352940962555, -5.247024072160486]\n",
      "2068 []\n",
      "2069 [-2.1041341542702074]\n",
      "2070 []\n",
      "2071 [0.40047756659712525]\n",
      "2072 [1.7719568419318752, 1.6094379124341003]\n",
      "2073 [-2.3978952727983707]\n",
      "2074 []\n",
      "2075 []\n",
      "2076 []\n",
      "2077 nan\n",
      "2078 [-7.649692623711514, -8.039157390473237]\n",
      "2079 []\n",
      "2080 [-12.100712129872347, -7.600902459542082]\n",
      "2081 [-8.732304571033183]\n",
      "2082 []\n",
      "2083 []\n",
      "2084 [-4.174387269895637]\n",
      "2085 [-4.02535169073515]\n",
      "2086 []\n",
      "2087 []\n",
      "2088 []\n",
      "2089 []\n",
      "2090 [-18.82614585206053]\n",
      "2091 []\n",
      "2092 [-5.075173815233827]\n",
      "2093 [-6.13122648948314]\n",
      "2094 []\n",
      "2095 []\n",
      "2096 []\n",
      "2097 [-13.710150042306449]\n",
      "2098 []\n",
      "2099 []\n",
      "2100 []\n",
      "2101 nan\n",
      "2102 []\n",
      "2103 []\n",
      "2104 []\n",
      "2105 []\n",
      "2106 []\n",
      "2107 [-7.696212639346407]\n",
      "2108 []\n",
      "2109 [-2.833213344056216]\n",
      "2110 [-13.060487973686241, -13.38472764187182]\n",
      "2111 [-14.603967918328545]\n",
      "2112 [-12.706847933442663]\n",
      "2113 []\n",
      "2114 []\n",
      "2115 []\n",
      "2116 []\n",
      "2117 []\n",
      "2118 []\n",
      "2119 []\n",
      "2120 []\n",
      "2121 [-16.523560759066484]\n",
      "2122 [-9.305650551780507, -9.305650551780507, -9.305650551780507]\n",
      "2123 [-7.937374696163295, -7.9724660159745655, -7.901007051992421]\n",
      "2124 [-7.649692623711514]\n",
      "2125 []\n",
      "2126 []\n",
      "2127 [-5.521460917862246, -5.598421958998375]\n",
      "2128 [-3.8066624897703196]\n",
      "2129 []\n",
      "2130 []\n",
      "2131 []\n",
      "2132 [-9.392661928770137, -8.039157390473237, -8.517193191416238, -8.68270762989381, -8.039157390473237]\n",
      "2133 [-8.1886891244442]\n",
      "2134 [-10.126631103850338]\n",
      "2135 []\n",
      "2136 []\n",
      "2137 []\n",
      "2138 []\n",
      "2139 []\n",
      "2140 []\n",
      "2141 [-4.59511985013459, -15.29711509888849]\n",
      "2142 []\n",
      "2143 []\n",
      "2144 []\n",
      "2145 []\n",
      "2146 [-13.16158409055761]\n",
      "2147 []\n",
      "2148 []\n",
      "2149 [-4.941642422609305]\n",
      "2150 []\n",
      "2151 []\n",
      "2152 []\n",
      "2153 []\n",
      "2154 []\n",
      "2155 []\n",
      "2156 []\n",
      "2157 []\n",
      "2158 []\n",
      "2159 []\n",
      "2160 [-2.0281482472922856]\n",
      "2161 [-14.77102200299171]\n",
      "2162 []\n",
      "2163 []\n",
      "2164 []\n",
      "2165 [-12.345834587905332]\n",
      "2166 []\n",
      "2167 []\n",
      "2168 [-1.7578579175523736]\n",
      "2169 [-8.961879012677683]\n",
      "2170 []\n",
      "2171 []\n",
      "2172 []\n",
      "2173 [-4.59511985013459]\n",
      "2174 [-9.392661928770137]\n",
      "2175 [-14.946912669455374]\n",
      "2176 [-14.22097566607244]\n",
      "2177 []\n",
      "2178 []\n",
      "2179 []\n",
      "2180 [-1.824549292051046]\n",
      "2181 []\n",
      "2182 []\n",
      "2183 []\n",
      "2184 []\n",
      "2185 [-18.75715298057358]\n",
      "2186 [-5.3471075307174685]\n",
      "2187 []\n",
      "2188 []\n",
      "2189 []\n",
      "2190 [-1.1631508098056809]\n",
      "2191 []\n",
      "2192 []\n",
      "2193 [-13.9108207377686]\n",
      "2194 []\n",
      "2195 []\n",
      "2196 []\n",
      "2197 []\n",
      "2198 []\n",
      "2199 []\n",
      "2200 []\n",
      "2201 []\n",
      "2202 []\n",
      "2203 []\n",
      "2204 []\n",
      "2205 []\n",
      "2206 []\n",
      "2207 [3.912023005428146, 3.912023005428146, 3.912023005428146, 3.649658740960655]\n",
      "2208 [4.135166556742356, 4.135166556742356, 4.135166556742356]\n",
      "2209 [4.509860006183766, 4.509860006183766, 4.710530701645918, 4.9062752787720125, 4.509860006183766, 4.509860006183766]\n",
      "2210 [4.853631545286591, 4.853631545286591, 5.0206856299497575, 5.2030071867437115, 4.853631545286591, 4.8158912173037445]\n",
      "2211 [4.605170185988092, 4.605170185988092, 4.733003557497976, 5.06720564558465, 4.605170185988092, 4.605170185988092, 4.767689115485866]\n",
      "2212 [5.051457288616511, 5.051457288616511, 5.051457288616511, 5.426150738057921, 5.051457288616511, 5.06720564558465, 5.051457288616511]\n",
      "2213 [4.961845129926823]\n",
      "2214 [5.0206856299497575, 4.422848629194137, 5.521460917862246]\n",
      "2215 [5.599422459331958, 5.599422459331958, 5.626821433520073, 5.339139361068292]\n",
      "2216 [5.572754212249797, 5.318520073865556]\n",
      "2217 [5.298317366548036]\n",
      "2218 [-8.935903526274423]\n",
      "2219 [4.879607031689852, 5.626821433520073]\n",
      "2220 [-5.966146739123692, -5.966146739123692, -5.940171252720432, -5.966146739123692]\n",
      "2221 [-4.189654742026425, -4.189654742026425, -4.700480365792417, -4.189654742026425, -4.276666119016055]\n",
      "2222 [-4.276666119016055, -4.276666119016055, -3.784189633918261, -4.189654742026425, -4.276666119016055]\n",
      "2223 [-4.48863636973214, -4.04305126783455]\n",
      "2224 [-4.477336814478207, -4.07753744390572]\n",
      "2225 [-4.605170185988091]\n",
      "2226 [-4.941642422609305]\n",
      "2227 [-5.66988092298052]\n",
      "2228 [-4.867534450455582]\n",
      "2229 [-5.298317366548036]\n",
      "2230 [-5.886104031450156]\n",
      "2231 [-2.3025850929940455, -2.3025850929940455, -2.3025850929940455]\n",
      "2232 [-1.8405496333974871, -1.8405496333974871, 0.24846135929849955, -1.8405496333974871]\n",
      "2233 [-0.5306282510621704, -0.5306282510621704, 1.1394342831883646, -0.5306282510621704]\n",
      "2234 [-0.2623642644674911]\n",
      "2235 [-5.438079308923196]\n",
      "2236 [1.5606477482646683]\n",
      "2237 [0.5621189181535412]\n",
      "2238 [-0.4700036292457356]\n",
      "2239 [2.120263536200091]\n",
      "2240 [2.0402208285265546]\n",
      "2241 [0.9416085398584448]\n",
      "2242 [-0.1823215567939546]\n",
      "2243 [1.5141277326297755]\n",
      "2244 [1.9661128563728327]\n",
      "2245 [2.3434070875143007]\n",
      "2246 [1.3093333199837622]\n",
      "2247 [-0.40546510810816444]\n",
      "2248 [1.1711829815029449]\n",
      "2249 [-0.2623642644674911]\n",
      "2250 [0.6539264674066639]\n",
      "2251 [-1.2237754316221157]\n",
      "2252 [0.38566248081198456]\n",
      "2253 [-0.0953101798043249]\n",
      "2254 [0.1278333715098848]\n",
      "2255 [2.9565115604007097]\n",
      "2256 [0.24846135929849955]\n",
      "2257 [3.912023005428146]\n",
      "2258 [0.843970070294529]\n",
      "2259 [-3.2188758248682006]\n",
      "2260 [3.540459448995663, 3.575550768806933, 3.575550768806933, 3.540459448995663, 3.2188758248682006, 3.575550768806933, 3.0159349808715104, 3.324236340526027, 3.540459448995663, 3.324236340526027]\n",
      "2261 [3.540459448995663]\n",
      "2262 [3.7722610630529876]\n",
      "2263 [4.074541934925921]\n",
      "2264 [4.615220521841593]\n",
      "2265 [1.5606477482646683]\n",
      "2266 []\n",
      "2267 []\n",
      "2268 [-10.043249494911286]\n",
      "2269 [-3.5263605246161616]\n",
      "2270 []\n",
      "2271 [-8.242756345714477]\n",
      "2272 [-9.392661928770137]\n",
      "2273 []\n",
      "2274 [-9.305650551780507]\n",
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      "2900 [4.074541934925921, 4.074541934925921, 4.605170185988092]\n",
      "2901 [4.074541934925921, 1.8971199848858813, 3.7297014486341915, 3.863232841258714]\n",
      "2902 [4.8158912173037445, 4.840892519509161]\n",
      "2903 [0.47803580094299963, 5.318520073865556, 3.816712825623821]\n",
      "2904 [6.9485772735023925, 4.3428059215206005]\n",
      "2905 [4.135166556742356, 2.120263536200091, 4.3428059215206005, 3.7297014486341915]\n",
      "2906 [4.733003557497976, 5.339139361068292, 4.733003557497976]\n",
      "2907 [2.4769384801388235, 5.496768305271875, 2.2072749131897207]\n",
      "2908 [4.199705077879927, 2.312635428847547]\n",
      "2909 [3.863232841258714, 2.8473122684357177]\n",
      "2910 [5.318520073865556, 2.796881414808826]\n",
      "2911 [3.4420193761824107, 4.892852258439873, 2.302585092994046]\n",
      "2912 [1.8971199848858813, 1.469675970058942, 2.302585092994046, 0.010050335853501286, 4.8283137373023015, 3.863232841258714]\n",
      "2913 [2.645075401940822, 0.10536051565782635, 4.947660494934867, 2.5510464522925456]\n",
      "2914 [0.010050335853501286, 4.017383521085972, 4.268697949366879]\n",
      "2915 [4.3428059215206005, 4.509860006183766]\n",
      "2916 [0.3566749439387322, 5.654992310486769, 3.036554268074246]\n",
      "2917 [0.010050335853501286, 5.683979847360021, 3.7722610630529876]\n",
      "2918 [4.879607031689852, 4.199705077879927]\n",
      "2919 [4.605170185988092, 0.5447271754416722, 4.422848629194137, 4.199705077879927]\n",
      "2920 [0.5978370007556204, 5.298317366548036, 3.649658740960655, 3.649658740960655, 3.6119184129778077, 4.3428059215206005]\n",
      "2921 [3.4420193761824107, 2.995732273553991]\n",
      "2922 [4.509860006183766, 3.9633162998156966]\n",
      "2923 [5.426150738057921, 1.5606477482646683]\n",
      "2924 [6.165817934252759, -0.1823215567939546, 4.422848629194137, 3.324236340526027]\n",
      "2925 [6.319968614080018, 3.575550768806933]\n",
      "2926 [5.809142990314028, 3.473768074496991]\n",
      "2927 [7.308232845579262, 3.036554268074246, 3.036554268074246, 2.5257286443082556]\n",
      "2928 [7.435388021064509, 7.293417759794122, 7.250245587928913]\n",
      "2929 []\n",
      "2930 []\n",
      "2931 [-7.783224016336037]\n",
      "2932 []\n",
      "2933 []\n",
      "2934 [-1.6094379124341003]\n",
      "2935 []\n",
      "2936 []\n",
      "2937 []\n",
      "2938 []\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "2939 []\n",
      "2940 []\n",
      "2941 [-1.7578579175523736]\n",
      "2942 []\n",
      "2943 []\n",
      "2944 []\n",
      "2945 [-8.131530710604252]\n",
      "2946 [0.5447271754416722, 0.5447271754416722]\n",
      "2947 [-7.003065458786462, -7.003065458786462]\n",
      "2948 [-7.090076835776092, -7.090076835776092]\n",
      "2949 [-6.593044534142437, -6.593044534142437]\n",
      "2950 [-19.67344371244773]\n",
      "2951 [3.912023005428146, 3.912023005428146, 3.912023005428146]\n",
      "2952 []\n",
      "2953 [1.1086626245216111, 1.203972804325936, 1.203972804325936, 1.2729656758128876, 1.2729656758128876]\n",
      "2954 [3.1941832122778293]\n",
      "2955 []\n",
      "2956 []\n",
      "2957 []\n",
      "2958 []\n",
      "2959 []\n",
      "2960 []\n",
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      "2965 []\n",
      "2966 []\n",
      "2967 []\n",
      "2968 []\n",
      "2969 [-5.19295685089021, -5.298317366548036]\n",
      "2970 [6.812445099177812, 3.2441936328524905, 3.2441936328524905, 6.812445099177812, 3.473768074496991, 3.2188758248682006]\n",
      "2971 [-0.916290731874155, -3.0910424533583156, -0.7884573603642702, -2.174751721484161, -3.258096538021482, -3.6109179126442243]\n",
      "2972 [3.036554268074246, 3.036554268074246, 5.360192770266124]\n",
      "2973 [1.0788096613719298, 1.0498221244986776, 3.3813947543659757, 1.0498221244986776, 0.7765287894989965, 0.7550225842780328, 0.9942522733438668, -2.151762203259462]\n",
      "2974 [0.8675005677047231, 2.0402208285265546, 2.3434070875143007, 2.3434070875143007, 2.7333680090865, 2.7488721956224653, 4.755993075722675]\n",
      "2975 [-2.5649493574615367]\n",
      "2976 [-0.40546510810816444, -1.2809338454620642, -0.40546510810816444, -0.1823215567939546, -2.890371757896165, -0.40546510810816444, -0.40546510810816444, 0.1278333715098848, -0.1823215567939546, -0.1823215567939546, -2.890371757896165, -0.7419373447293773, 0.1278333715098848, 0.0]\n",
      "2977 [-3.5263605246161616, -1.589235205116581, -1.9878743481543455, -2.890371757896165, -1.589235205116581, -1.589235205116581, -3.367295829986474, -2.890371757896165, -3.367295829986474]\n",
      "2978 [-7.24422751560335, -2.772588722239781, -2.3978952727983707, -2.4849066497880004, -2.890371757896165, -2.3978952727983707, -2.3978952727983707, -4.060443010546419, -2.890371757896165, -2.3978952727983707]\n",
      "2979 [-1.0647107369924282]\n",
      "2980 [-1.2237754316221157, -1.8870696490323797, -1.0296194171811581, -0.8329091229351039, -0.8329091229351039, -0.8329091229351039, -2.1972245773362196, -0.40546510810816444, -0.40546510810816444, -0.587786664902119]\n",
      "2981 [-0.4700036292457356]\n",
      "2982 [-1.308332819650179, -0.2623642644674911, -1.1939224684724346]\n",
      "2983 []\n",
      "2984 [-3.713572066704308]\n",
      "2985 [-0.916290731874155, -0.916290731874155]\n",
      "2986 [-0.916290731874155, -0.916290731874155]\n",
      "2987 [-1.824549292051046, -0.6418538861723948, 0.7765287894989965, -0.6418538861723948, -2.0281482472922856]\n",
      "2988 []\n",
      "2989 [-0.6931471805599453, -1.3350010667323402, -0.587786664902119, -5.075173815233827, -0.587786664902119, -2.0281482472922856, -0.3364722366212129, -2.772588722239781, -0.8754687373538999]\n",
      "2990 []\n",
      "2991 [-1.9740810260220096, -1.9740810260220096]\n",
      "2992 [-2.0281482472922856, -1.0296194171811581, -1.0296194171811581]\n",
      "2993 [-1.4586150226995167, -1.4586150226995167]\n",
      "2994 [-6.016157159698353, -2.5649493574615367, 4.509860006183766, -2.5649493574615367, -3.1354942159291497, -3.1354942159291497, 2.2072749131897207, -1.547562508716013, -1.2237754316221157]\n",
      "2995 [-5.480638923341991]\n",
      "2996 [-7.170119543449628]\n",
      "2997 [-3.367295829986474]\n",
      "2998 [-7.313220387090301]\n",
      "2999 []\n",
      "3000 [-2.1972245773362196]\n",
      "3001 [-1.410986973710262, -3.6635616461296463, -1.3862943611198906]\n",
      "3002 [2.302585092994046]\n",
      "3003 [3.101092789211817]\n",
      "3004 [2.8473122684357177]\n",
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      "3009 [4.688551794927142]\n",
      "3010 [6.074846156047033]\n",
      "3011 [4.3428059215206005]\n",
      "3012 [4.879607031689852]\n",
      "3013 [4.509860006183766, 4.62537289330561]\n",
      "3014 [4.509860006183766]\n",
      "3015 [5.426150738057921, 5.381698975487088]\n",
      "3016 [5.426150738057921]\n",
      "3017 [5.035953102080546]\n",
      "3018 [5.7763531674910364]\n",
      "3019 [5.744604469176457]\n",
      "3020 [6.165817934252759]\n",
      "3021 [-1.6486586255873819, -0.8329091229351039]\n",
      "3022 [-2.1162555148025524]\n",
      "3023 [-2.0014800002101243, -1.9600947840472698]\n",
      "3024 [-1.824549292051046, -1.9021075263969205]\n",
      "3025 []\n",
      "3026 [1.3093333199837622]\n",
      "3027 [2.396895772465287]\n",
      "3028 [-3.7376696182833684]\n",
      "3029 [-2.639057329615259]\n",
      "3030 []\n",
      "3031 []\n",
      "3032 []\n",
      "3033 []\n",
      "3034 []\n",
      "3035 []\n",
      "3036 []\n",
      "3037 []\n",
      "3038 [-3.8066624897703196]\n",
      "3039 [-2.890371757896165]\n",
      "3040 [-10.043249494911286, -8.411832675758411, -9.02401079378469, -9.998797732340453]\n",
      "3041 [1.9661128563728327, -0.1823215567939546, -10.819778284410283, -10.043249494911286, -8.294049640102028, -5.66988092298052, -0.587786664902119, -0.587786664902119, -11.184421397998193, -6.877296071497429, -15.520258650202699]\n",
      "3042 [-5.135798437050262, -5.135798437050262, -5.135798437050262, -13.641157170819497]\n",
      "3043 [2.312635428847547]\n",
      "3044 [0.18632957819149334]\n",
      "3045 []\n",
      "3046 []\n",
      "3047 [-4.51085950651685]\n",
      "3048 [-5.598421958998375]\n",
      "3049 []\n",
      "3050 [-4.59511985013459, -10.596634733096073, -9.20029003612268]\n",
      "3051 [-8.216088098632316]\n",
      "3052 [-10.596634733096073]\n",
      "3053 [-10.571316925111784]\n",
      "3054 [1.6607312068216509]\n",
      "3055 [-9.305650551780507]\n",
      "3056 []\n",
      "3057 [-9.104979856318357]\n",
      "3058 [-9.210340371976182]\n",
      "3059 [-1.4816045409242156, -1.5040773967762742]\n",
      "3060 []\n",
      "3061 []\n",
      "3062 [-1.5040773967762742]\n",
      "3063 [-8.039157390473237]\n",
      "3064 []\n",
      "3065 []\n",
      "3066 [-2.995732273553991]\n",
      "3067 []\n",
      "3068 [-1.5040773967762742]\n",
      "3069 [-0.8329091229351039]\n",
      "3070 [-8.216088098632316]\n",
      "3071 []\n",
      "3072 []\n",
      "3073 []\n",
      "3074 []\n",
      "3075 []\n",
      "3076 [-15.919644712234481, -15.955576721460545]\n",
      "3077 []\n",
      "3078 [-3.713572066704308]\n",
      "3079 []\n",
      "3080 []\n",
      "3081 []\n",
      "3082 []\n",
      "3083 [-4.127134385045092]\n",
      "3084 []\n",
      "3085 []\n",
      "3086 [-3.891820298110627, 0.0]\n",
      "3087 [-1.6094379124341003]\n",
      "3088 [-4.941642422609305, -5.560681631015528]\n",
      "3089 [0.5978370007556204]\n",
      "3090 []\n",
      "3091 [-7.090076835776092, -4.605170185988091]\n",
      "3092 []\n",
      "3093 []\n",
      "3094 [-5.135798437050262]\n",
      "3095 [-1.410986973710262, -2.1972245773362196]\n",
      "3096 []\n",
      "3097 []\n",
      "3098 []\n",
      "3099 []\n",
      "3100 []\n",
      "3101 [0.7339691750802005, 0.5276327420823718, 0.6931471805599453, 0.7550225842780328, 1.1711829815029449, 0.6161861394238168, -2.5649493574615367, 1.1711829815029449]\n",
      "3102 [0.0, 0.09431067947124121, 0.09431067947124121, 0.08338160893905121, 0.020202707317519254, 1.0788096613719298, 1.7719568419318752, 0.1165338162559514, 0.1165338162559514, -3.891820298110627, 1.7719568419318752, -3.912023005428146, -3.0910424533583156, 0.020202707317519254, 1.7719568419318752, 3.0576076772720784, -0.2623642644674911, 1.7719568419318752, -0.1823215567939546, -4.04305126783455]\n",
      "3103 [-0.4700036292457356, 0.09431067947124121, -0.587786664902119, -0.4700036292457356, -3.4011973816621555, -3.4011973816621555, -8.630521876723241, -3.1780538303479458]\n",
      "3104 []\n",
      "3105 []\n",
      "3106 [3.473768074496991]\n",
      "3107 [2.120263536200091]\n",
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      "3123 [1.8971199848858813]\n",
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      "3203 []\n",
      "3204 []\n",
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      "3210 []\n",
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      "3266 []\n",
      "3267 []\n",
      "3268 []\n",
      "3269 []\n",
      "3270 []\n",
      "3271 []\n",
      "3272 []\n",
      "3273 []\n",
      "3274 []\n",
      "3275 []\n",
      "3276 []\n",
      "3277 []\n",
      "3278 []\n",
      "3279 []\n",
      "3280 []\n",
      "3281 []\n",
      "3282 []\n",
      "3283 []\n",
      "3284 []\n",
      "3285 []\n",
      "3286 []\n",
      "3287 []\n",
      "3288 []\n",
      "3289 []\n",
      "3290 []\n",
      "3291 []\n",
      "3292 []\n",
      "3293 []\n",
      "3294 []\n",
      "3295 []\n",
      "3296 []\n",
      "3297 []\n",
      "3298 [0.5276327420823718, 0.38566248081198456, 0.16251892949777474]\n",
      "3299 []\n",
      "3300 []\n",
      "3301 []\n",
      "3302 []\n",
      "3303 []\n",
      "3304 []\n",
      "3305 []\n",
      "3306 []\n",
      "3307 []\n",
      "3308 []\n",
      "3309 []\n",
      "3310 []\n",
      "3311 []\n",
      "3312 []\n",
      "3313 []\n",
      "3314 []\n",
      "3315 []\n",
      "3316 []\n",
      "3317 []\n",
      "3318 []\n",
      "3319 []\n",
      "3320 []\n",
      "3321 []\n",
      "3322 []\n",
      "3323 []\n",
      "3324 []\n",
      "3325 []\n",
      "3326 []\n",
      "3327 []\n",
      "3328 [-0.6931471805599453, -0.6931471805599453, -0.5306282510621704]\n",
      "3329 []\n",
      "3330 []\n",
      "3331 []\n",
      "3332 []\n",
      "3333 [0.37106368139083185, 0.9675840262617057]\n",
      "3334 []\n",
      "3335 []\n",
      "3336 [0.09431067947124121]\n",
      "3337 []\n",
      "3338 []\n",
      "3339 []\n",
      "3340 []\n",
      "3341 []\n",
      "3342 []\n",
      "3343 []\n",
      "3344 []\n",
      "3345 []\n",
      "3346 [0.3566749439387322, 1.2378743560016174]\n",
      "3347 []\n",
      "3348 []\n",
      "3349 []\n",
      "3350 [0.27443684570176036]\n",
      "3351 [1.83258146374831, 3.6888794541139363, 1.83258146374831, 2.120263536200091]\n",
      "3352 [2.5383074265151158, 2.5383074265151158, 2.703062659591171]\n",
      "3353 []\n",
      "3354 []\n",
      "3355 []\n",
      "3356 []\n",
      "3357 []\n",
      "3358 []\n",
      "3359 []\n",
      "3360 [1.8971199848858813, 1.8971199848858813, 1.8971199848858813, 1.8971199848858813]\n",
      "3361 [1.7719568419318752, 2.120263536200091, 2.120263536200091]\n",
      "3362 [0.7550225842780328, 0.7550225842780328, 0.7550225842780328]\n",
      "3363 []\n",
      "3364 [1.3093333199837622, 1.2378743560016174, 1.3470736479666092, 1.3470736479666092]\n",
      "3365 []\n",
      "3366 []\n",
      "3367 []\n",
      "3368 []\n",
      "3369 []\n",
      "3370 []\n",
      "3371 []\n",
      "3372 []\n",
      "3373 []\n",
      "3374 []\n",
      "3375 []\n",
      "3376 []\n",
      "3377 [0.6931471805599453, 1.3093333199837622, -0.3364722366212129, 1.1086626245216111, 1.3093333199837622]\n",
      "3378 []\n",
      "3379 [-0.2623642644674911, -0.5306282510621704, -0.2623642644674911]\n",
      "3380 []\n",
      "3381 []\n",
      "3382 []\n",
      "3383 []\n",
      "3384 []\n",
      "3385 []\n",
      "3386 []\n",
      "3387 []\n",
      "3388 []\n",
      "3389 []\n",
      "3390 []\n",
      "3391 []\n",
      "3392 [1.9661128563728327, -0.3364722366212129, -0.3364722366212129]\n",
      "3393 []\n",
      "3394 []\n",
      "3395 []\n",
      "3396 []\n",
      "3397 []\n",
      "3398 [1.6094379124341003, 1.203972804325936, 1.203972804325936, 0.5447271754416722, 0.49429632181478017, 1.203972804325936, 2.3330443004787544, 0.4620354595965586, -1.547562508716013]\n",
      "3399 []\n",
      "3400 [-1.3350010667323402, -1.5040773967762742, -1.3350010667323402]\n",
      "3401 []\n",
      "3402 []\n",
      "3403 []\n",
      "3404 []\n",
      "3405 []\n",
      "3406 []\n",
      "3407 []\n",
      "3408 []\n",
      "3409 []\n",
      "3410 []\n",
      "3411 []\n",
      "3412 []\n",
      "3413 []\n",
      "3414 []\n",
      "3415 []\n",
      "3416 [-1.0986122886681098, -0.4700036292457356, 1.5141277326297755]\n",
      "3417 []\n",
      "3418 []\n",
      "3419 []\n",
      "3420 []\n",
      "3421 []\n",
      "3422 []\n",
      "3423 []\n",
      "3424 [-2.0149030205422647, -0.8329091229351039, -2.0149030205422647]\n",
      "3425 []\n",
      "3426 [-0.40546510810816444, -0.40546510810816444, 0.27443684570176036, -0.40546510810816444]\n",
      "3427 [5.278514739251857]\n",
      "3428 [5.713832810509703]\n",
      "3429 []\n",
      "3430 []\n",
      "3431 []\n",
      "3432 []\n",
      "3433 []\n",
      "3434 [0.6348782724359694]\n",
      "3435 [3.540459448995663]\n",
      "3436 []\n",
      "3437 []\n",
      "3438 [-0.587786664902119, -0.2623642644674911, -0.2623642644674911, -0.2623642644674911, -0.8754687373538999, -0.4700036292457356]\n",
      "3439 [-2.2823823856765264, -1.5040773967762742, -1.5040773967762742, -2.0149030205422647]\n",
      "3440 [-1.1631508098056809, -2.3025850929940455, 0.09431067947124121, -2.3025850929940455, -3.2188758248682006, -2.151762203259462, 0.08338160893905121]\n",
      "3441 []\n",
      "3442 []\n",
      "3443 [0.38566248081198456, 0.8209805520698301, 0.8209805520698301]\n",
      "3444 []\n",
      "3445 []\n",
      "3446 []\n",
      "3447 [-2.0014800002101243]\n",
      "3448 []\n",
      "3449 [0.7339691750802005, 0.010050335853501286, -0.40546510810816444, -0.3364722366212129, -0.40546510810816444, -0.3364722366212129]\n",
      "3450 []\n",
      "3451 []\n",
      "3452 []\n",
      "3453 []\n",
      "3454 []\n",
      "3455 []\n",
      "3456 [-3.912023005428146, 4.074541934925921, -3.6635616461296463, -3.8066624897703196]\n",
      "3457 []\n",
      "3458 []\n",
      "3459 [-3.367295829986474, -3.258096538021482]\n",
      "3460 []\n",
      "3461 []\n",
      "3462 []\n",
      "3463 [-5.298317366548036, -5.298317366548036, -2.4849066497880004]\n",
      "3464 []\n",
      "3465 []\n",
      "3466 []\n",
      "3467 []\n",
      "3468 []\n",
      "3469 []\n",
      "3470 []\n",
      "3471 []\n",
      "3472 [0.30110509278392145]\n",
      "3473 [1.0498221244986776]\n",
      "3474 []\n",
      "3475 []\n",
      "3476 []\n",
      "3477 []\n",
      "3478 []\n",
      "3479 []\n",
      "3480 []\n",
      "3481 []\n",
      "3482 []\n",
      "3483 []\n",
      "3484 []\n",
      "3485 []\n",
      "3486 []\n",
      "3487 []\n",
      "3488 [-9.210340371976182, -7.9724660159745655, -7.9724660159745655, -9.680344001221918, -17.942644943009366, -9.305650551780507]\n",
      "3489 [-7.696212639346407]\n",
      "3490 [-7.549609165154532, -8.160518247477505, -6.907755278982137, -8.101677747454572, -8.131530710604252, -7.600902459542082, -15.931766072766827, -8.366370301681654]\n",
      "3491 []\n",
      "3492 []\n",
      "3493 [-7.649692623711514, -9.210340371976182]\n",
      "3494 [-6.063785208687608, -5.521460917862246, -5.521460917862246, -5.480638923341991]\n",
      "3495 [-15.009433026436708, -22.839521351748964, -15.176487111099874]\n",
      "3496 [-10.46310334047155, -10.46310334047155, -10.46310334047155]\n",
      "3497 []\n",
      "3498 []\n",
      "3499 []\n",
      "3500 [-7.090076835776092]\n",
      "3501 [-7.740664401917241]\n",
      "3502 []\n",
      "3503 [5.360192770266124, 5.360192770266124, 5.339139361068292, 5.278514739251857]\n",
      "3504 []\n",
      "3505 []\n",
      "3506 []\n",
      "3507 []\n",
      "3508 []\n",
      "3509 []\n",
      "3510 [-4.5217885770490405]\n",
      "3511 []\n",
      "3512 []\n",
      "3513 []\n",
      "3514 [-5.480638923341991]\n",
      "3515 [-0.0953101798043249, 1.5141277326297755, 1.2729656758128876]\n",
      "3516 [0.3147107448397002, 2.2072749131897207]\n",
      "3517 [-0.6931471805599453, 1.7147984280919264, 1.2729656758128876]\n",
      "3518 [-0.1823215567939546]\n",
      "3519 [0.19845093872383823]\n",
      "3520 []\n",
      "3521 []\n",
      "3522 []\n",
      "3523 [-0.9932517730102834, 1.5141277326297755, 1.469675970058942, 1.5606477482646683]\n",
      "3524 [0.24846135929849955]\n",
      "3525 [-6.907755278982137]\n",
      "3526 []\n",
      "3527 []\n",
      "3528 [-1.3862943611198906]\n",
      "3529 []\n",
      "3530 []\n",
      "3531 []\n",
      "3532 []\n",
      "3533 []\n",
      "3534 []\n",
      "3535 []\n",
      "3536 [-4.787491742782046]\n",
      "3537 []\n",
      "3538 []\n",
      "3539 []\n",
      "3540 []\n",
      "3541 []\n",
      "3542 []\n",
      "3543 [1.0216512475319812]\n",
      "3544 [-1.2809338454620642]\n",
      "3545 []\n",
      "3546 []\n",
      "3547 []\n",
      "3548 []\n",
      "3549 []\n",
      "3550 []\n",
      "3551 [-23.85876005287556]\n",
      "3552 [-9.740968623038354, -9.615805480084347, -5.799092654460526, -9.740968623038354, -9.740968623038354]\n",
      "3553 [-5.3471075307174685, -5.135798437050262]\n",
      "3554 [-9.903487552536127, -6.721425700790643]\n",
      "3555 [-5.247024072160486, -8.517193191416238]\n",
      "3556 [-8.66561319653451, -5.19295685089021, -5.634789603169249]\n",
      "3557 [-3.7612001156935624, -3.7612001156935624]\n",
      "3558 [-11.156250521031495, -9.852194258148577]\n",
      "3559 [-6.536691597591305]\n",
      "3560 [-3.1354942159291497, -2.833213344056216, -6.173786103901937]\n",
      "3561 [-10.308952660644293, 1.469675970058942, 1.469675970058942]\n",
      "3562 []\n",
      "3563 []\n",
      "3564 [-7.003065458786462, -7.003065458786462]\n",
      "3565 [-11.918390573078392]\n",
      "3566 []\n",
      "3567 [-13.122363377404328]\n",
      "3568 []\n",
      "3569 [-9.546812608597396]\n",
      "3570 [-3.295836866004329, -4.51085950651685, -4.51085950651685]\n",
      "3571 [-6.709304340258298, -6.745236349484363, -6.745236349484363]\n",
      "3572 [-1.6486586255873819]\n",
      "3573 [-2.0918640616783932]\n",
      "3574 [-1.1939224684724346]\n",
      "3575 [-9.472704636443673]\n",
      "3576 []\n",
      "3577 []\n",
      "3578 [0.16251892949777474]\n",
      "3579 []\n",
      "3580 [-9.615805480084347]\n",
      "3581 []\n",
      "3582 [-12.206072645530174]\n",
      "3583 []\n",
      "3584 [-10.51867319162636]\n",
      "3585 [-6.507277712385012, -6.897704943128636, -4.941642422609305, -6.802394763324311, -7.090076835776092, -6.1092475827643655, -5.075173815233827, -5.736572297479192, -5.736572297479192]\n",
      "3586 [-1.308332819650179, -1.1631508098056809]\n",
      "3587 [-6.620073206530356, -6.579251212010101, -6.429719478039138, -5.3471075307174685, -4.867534450455582, -6.063785208687608, -6.016157159698353, -7.003065458786462, -7.003065458786462, -6.345636360828596, -7.090076835776092, -7.003065458786462]\n",
      "3588 [-10.165851817003619]\n",
      "3589 [-10.085809109330082, -10.87804719253426]\n",
      "3590 [-15.29711509888849]\n",
      "3591 []\n",
      "3592 []\n",
      "3593 [-4.605170185988091]\n",
      "3594 [-5.075173815233827, -4.787491742782046]\n",
      "3595 []\n",
      "3596 []\n",
      "3597 [0.0, -4.605170185988091]\n",
      "3598 nan\n",
      "3599 [-3.713572066704308, -6.063785208687608, -2.4849066497880004]\n",
      "3600 []\n",
      "3601 [-9.305650551780507]\n",
      "3602 [-5.66988092298052, -3.8501476017100584, -4.248495242049359]\n",
      "3603 [-3.1780538303479458]\n",
      "3604 [-10.308952660644293, -10.275051108968611]\n",
      "3605 []\n",
      "3606 []\n",
      "3607 [-9.210340371976182, -9.392661928770137]\n",
      "3608 []\n",
      "3609 []\n",
      "3610 []\n",
      "3611 [-22.31250104206299]\n",
      "3612 []\n",
      "3613 []\n",
      "3614 [-10.858998997563564, -11.082142548877775, -11.27720313144916, -10.933106969717286]\n",
      "3615 [-7.8632667240095735, -7.8632667240095735]\n",
      "3616 []\n",
      "3617 [-7.549609165154532]\n",
      "3618 [-7.901007051992421]\n",
      "3619 [-6.363028103540465, -12.468436909997665, -4.51085950651685]\n",
      "3620 [-15.068273526459642]\n",
      "3621 [-5.91350300563827]\n",
      "3622 [-19.06253463012476, -23.85876005287556]\n",
      "3623 [-6.0867747269123065]\n",
      "3624 [-5.991464547107982]\n",
      "3625 [-8.974618038455112]\n",
      "3626 [-15.84365880525656, -15.150511624696614]\n",
      "3627 [-11.695247021764184, -11.695247021764184]\n",
      "3628 [-8.242756345714477, -13.142166004700508]\n",
      "3629 [-9.305650551780507, -8.648221453822641, -7.824046010856292]\n",
      "3630 []\n",
      "3631 []\n",
      "3632 [-4.941642422609305, -4.941642422609305]\n",
      "3633 [-9.546812608597396]\n",
      "3634 [-8.987196820661973]\n",
      "3635 []\n",
      "3636 []\n",
      "3637 []\n",
      "3638 [-11.156250521031495]\n",
      "3639 [-7.24422751560335]\n",
      "3640 []\n",
      "3641 [-9.852194258148577]\n",
      "3642 [-6.709304340258298]\n",
      "3643 []\n",
      "3644 []\n",
      "3645 [-6.802394763324311]\n",
      "3646 [-12.154779351142624]\n",
      "3647 []\n",
      "3648 []\n",
      "3649 []\n",
      "3650 []\n",
      "3651 []\n",
      "3652 []\n",
      "3653 []\n",
      "3654 []\n",
      "3655 []\n",
      "3656 []\n",
      "3657 []\n",
      "3658 []\n",
      "3659 []\n",
      "3660 []\n",
      "3661 []\n",
      "3662 [0.0]\n",
      "3663 []\n",
      "3664 []\n",
      "3665 []\n",
      "3666 [6.502290170873972, 6.502290170873972, 6.502290170873972, 6.437751649736401, 6.502290170873972]\n",
      "3667 [7.986564940354067, 7.986564940354067, 7.929406526514119, 7.957577403480815, 7.957577403480815, 8.468403027246806, 7.957577403480815, 8.016417903503749, 8.016417903503749, 7.986564940354067, 7.986564940354067, 8.047189562170502, 8.016417903503749, 8.016417903503749]\n",
      "3668 [7.002065958453379, 6.319968614080018, 6.2659013928097425, 10.177924398237888, 6.2659013928097425]\n",
      "3669 [11.52297580082373, 11.585496157805064, 11.663748354704813, 11.59630707390928, 11.761386824268728, 8.804875263868018, 12.07504438312377, 11.841429531942264, 12.07504438312377, 11.640758836480114, 11.652187532303737]\n",
      "3670 [10.414313176302118, 10.414313176302118, 10.414313176302118, 10.381523353479128, 10.770988120240851, 8.947976107508692, 10.414313176302118, 10.4482147279778, 10.381523353479128, 10.4482147279778, 10.680016342035124, 10.4482147279778, 10.596634733096073, 10.637456727616328, 10.637456727616328, 10.680016342035124, 10.680016342035124, 12.562747589468906, 10.231991619508165, 11.959212567598648, 10.680016342035124, 10.596634733096073, 10.596634733096073]\n",
      "3671 [9.115030192171858, 9.115030192171858, 9.115030192171858, 9.115030192171858, 9.210340371976184, 8.180720954795024, 9.210340371976184, 8.87386813535497, 9.220390707829685, 9.210340371976184, 9.458801731274683, 9.115030192171858, 9.115030192171858, 8.679712120914012, 9.115030192171858, 11.330603908176274, 9.458801731274683, 9.220390707829685, 9.458801731274683, 9.315700887634009, 9.315700887634009, 9.261633666363734, 9.230543079293701, 8.679712120914012, 9.210340371976184, 8.679712120914012, 8.679712120914012, 9.421061403291835, 9.230543079293701, 9.421061403291835, 9.230543079293701, 9.421061403291835]\n",
      "3672 [9.688376172919183]\n",
      "3673 [9.315700887634009, 9.210340371976184]\n",
      "3674 []\n",
      "3675 [8.517193191416238, 10.4482147279778, 10.381523353479128, 10.48330604778907, 10.289150033348113, 10.871071578797833, 11.640758836480114, 10.819778284410283, 10.381523353479128, 10.381523353479128, 10.819778284410283, 10.819778284410283]\n",
      "3676 [11.711376403694066, 12.0576526404119, 11.80060753742201, 12.0576526404119]\n",
      "3677 [11.618285980628055, 11.748647798491298, 11.736069016284437, 11.72364649628588, 11.72364649628588]\n",
      "3678 [12.591735126342158, 12.684108446473173, 13.227723893062155, 12.480509491231935, 12.507177738314095, 12.652359748158593, 12.652359748158593, 12.480509491231935]\n",
      "3679 []\n",
      "3680 []\n",
      "3681 []\n",
      "3682 [8.377431249041079, 8.016417903503749, 8.180720954795024]\n",
      "3683 []\n",
      "3684 [9.115030192171858, 9.210340371976184, 9.115030192171858, 9.210340371976184]\n",
      "3685 [8.87386813535497]\n",
      "3686 [7.902007552326004, 7.799353398265921, 7.902007552326004, 7.902007552326004]\n",
      "3687 [8.145629634983754, 8.145629634983754, 7.706262975199909, 9.47170513611059]\n",
      "3688 [8.804875263868018, 8.87386813535497, 8.87386813535497, 8.804875263868018, 8.87386813535497, 8.568486485803788]\n",
      "3689 nan\n",
      "3690 nan\n",
      "3691 [8.679712120914012, 8.679712120914012]\n",
      "3692 []\n",
      "3693 [9.230543079293701]\n",
      "3694 [9.115030192171858]\n",
      "3695 []\n",
      "3696 []\n",
      "3697 []\n",
      "3698 []\n",
      "3699 [-5.521460917862246, -5.480638923341991]\n",
      "3700 [2.312635428847547]\n",
      "3701 [3.912023005428146, 5.914503505971854, 3.912023005428146]\n",
      "3702 [5.843044541989709, 6.3771270279199666, 6.3771270279199666, 5.8781358618009785, 6.319968614080018, 5.914503505971854, 5.914503505971854]\n",
      "3703 [8.334871634622283, 8.334871634622283, 8.334871634622283, 7.641724454062338, 7.986564940354067, 7.986564940354067]\n",
      "3704 [8.111728083308073, 8.2170885989659, 8.145629634983754, 6.6453910145146455, 8.111728083308073]\n",
      "3705 []\n",
      "3706 []\n",
      "3707 [5.083205986931091]\n",
      "3708 []\n",
      "3709 []\n",
      "3710 []\n",
      "3711 []\n",
      "3712 []\n",
      "3713 [-1.5040773967762742]\n",
      "3714 []\n",
      "3715 []\n",
      "3716 []\n",
      "3717 []\n",
      "3718 [-13.253391639810733]\n",
      "3719 [-10.275051108968611]\n",
      "3720 [0.4155154439616658, 0.30110509278392145]\n",
      "3721 [3.2441936328524905]\n",
      "3722 []\n",
      "3723 [-7.740664401917241]\n",
      "3724 [-9.104979856318357]\n",
      "3725 [-7.649692623711514, -7.649692623711514]\n",
      "3726 []\n",
      "3727 []\n",
      "3728 []\n",
      "3729 [-2.4849066497880004]\n",
      "3730 [-9.392661928770137]\n",
      "3731 [-8.101677747454572]\n",
      "3732 [-17.034386382832476]\n",
      "3733 []\n",
      "3734 [0.010050335853501286]\n",
      "3735 [-16.523560759066484]\n",
      "3736 [-8.160518247477505]\n",
      "3737 [-7.696212639346407]\n",
      "3738 [-15.404745763080856]\n",
      "3739 [-3.1354942159291497]\n",
      "3740 []\n",
      "3741 [-23.85876005287556]\n",
      "3742 []\n",
      "3743 [-16.012735135300492]\n",
      "3744 []\n",
      "3745 [-9.615805480084347]\n",
      "3746 [-5.8289456176102075]\n",
      "3747 [-2.772588722239781]\n",
      "3748 []\n",
      "3749 [-2.2925347571405443, -2.2925347571405443]\n",
      "3750 [-3.6375861597263857]\n",
      "3751 []\n",
      "3752 [6.3771270279199666, 6.3771270279199666, 6.3771270279199666, 6.437751649736401, 6.6453910145146455, 6.571283042360924, 6.3771270279199666, 6.502290170873972, 6.437751649736401, 6.437751649736401, 6.437751649736401, 6.437751649736401, 6.2659013928097425, 6.502290170873972, 10.031320924046012, 6.502290170873972, 6.3771270279199666, 6.571283042360924, 6.437751649736401]\n",
      "3753 [3.473768074496991, 4.422848629194137, 4.268697949366879, 4.199705077879927, 4.422848629194137, 4.688551794927142, 4.509860006183766, 4.509860006183766, 4.509860006183766, 4.509860006183766, 4.3428059215206005, 4.947660494934867, 4.509860006183766, 4.422848629194137, 4.509860006183766, 4.422848629194137, 4.509860006183766]\n",
      "3754 [4.074541934925921, 4.074541934925921, 4.074541934925921, 4.074541934925921, 4.135166556742356, 3.816712825623821, 4.645992180508347, 3.7722610630529876, 4.268697949366879, 4.268697949366879, 4.767689115485866, 3.7722610630529876, 3.9633162998156966, 4.017383521085972, 4.135166556742356, 3.9633162998156966, 4.074541934925921, 4.017383521085972, 4.074541934925921, 4.074541934925921, 4.199705077879927, 4.017383521085972, 4.074541934925921, 4.074541934925921, 3.9633162998156966, 3.863232841258714, 4.074541934925921, 3.863232841258714, 4.199705077879927]\n",
      "3755 [3.912023005428146, 4.422848629194137, 3.912023005428146]\n",
      "3756 [6.6453910145146455, 6.6453910145146455, 7.1184763102977895, 6.571283042360924, 6.6453910145146455, 9.293721980915233, 6.6453910145146455, 6.571283042360924]\n",
      "3757 []\n",
      "3758 [4.074541934925921, 3.9633162998156966, 3.9633162998156966, 4.017383521085972, 4.509860006183766, 4.199705077879927, 4.199705077879927, 6.165817934252759, 4.268697949366879, 4.509860006183766, 4.199705077879927, 4.199705077879927, 4.199705077879927, 4.268697949366879, 3.863232841258714, 4.135166556742356, 4.017383521085972]\n",
      "3759 [4.135166556742356]\n",
      "3760 [4.605170185988092, 0.27443684570176036]\n",
      "3761 [6.812445099177812, 6.812445099177812, 6.571283042360924, 8.254828926948747, 8.254828926948747, 6.907755278982137, 6.907755278982137, 6.571283042360924, 6.907755278982137]\n",
      "3762 [7.082108666126914, 7.013115794639964, 7.013115794639964, 7.143477612503207, 7.143477612503207, 7.013115794639964, 6.907755278982137, 7.013115794639964]\n",
      "3763 [4.990832666800076, 4.990832666800076, 4.509860006183766, 5.0206856299497575]\n",
      "3764 [6.812445099177812, 4.509860006183766]\n",
      "3765 [7.6842840684811335, 7.106206217705975, 6.812445099177812, 7.1308988302963465, 7.1308988302963465, 7.09408485717363, 7.1184763102977895, 7.143477612503207]\n",
      "3766 [7.1691200431165445]\n",
      "3767 [7.77525584668686, 7.77525584668686]\n",
      "3768 [8.334871634622283, 8.078938260485081, 9.24079957946089]\n",
      "3769 [7.621105166859602, 8.145629634983754]\n",
      "3770 []\n",
      "3771 [7.662777863260169, 7.600902459542082, 7.662777863260169]\n",
      "3772 []\n",
      "3773 [8.111728083308073, 8.111728083308073]\n",
      "3774 []\n",
      "3775 []\n",
      "3776 [8.377431249041079, 8.377431249041079]\n",
      "3777 [8.334871634622283, 8.679712120914012, 8.679712120914012]\n",
      "3778 [4.268697949366879]\n",
      "3779 []\n",
      "3780 []\n",
      "3781 [1.5606477482646683, 4.135166556742356]\n",
      "3782 []\n",
      "3783 [4.422848629194137]\n",
      "3784 [6.3771270279199666, 6.3771270279199666]\n",
      "3785 [4.733003557497976]\n",
      "3786 []\n",
      "3787 []\n",
      "3788 [5.298317366548036, 5.339139361068292, 5.115995809754082, 5.546778725846536, 5.298317366548036, 5.521460917862246, 5.099466507802871, 5.318520073865556, 5.240048458424061, 5.426150738057921, 5.521460917862246, 5.360192770266124, 5.360192770266124, 5.298317366548036, 5.360192770266124, 5.360192770266124, 5.521460917862246, 5.360192770266124, 5.360192770266124]\n",
      "3789 [5.035953102080546]\n",
      "3790 [4.656463480375642]\n",
      "3791 [5.298317366548036]\n",
      "3792 [4.667045589706179, 4.509860006183766, 5.44914025628262, 5.339139361068292, 3.912023005428146, 4.509860006183766]\n",
      "3793 [3.473768074496991, 3.540459448995663]\n",
      "3794 []\n",
      "3795 [5.914503505971854]\n",
      "3796 [2.375155785828881, 0.8915981192837835, -1.9600947840472698]\n",
      "3797 [3.816712825623821]\n",
      "3798 []\n",
      "3799 []\n",
      "3800 [6.502290170873972]\n",
      "3801 [5.683979847360021, 5.472670753692815, 5.472670753692815]\n",
      "3802 [4.074541934925921]\n",
      "3803 []\n",
      "3804 [5.809142990314028]\n",
      "3805 []\n",
      "3806 []\n",
      "3807 []\n",
      "3808 []\n",
      "3809 [5.035953102080546]\n",
      "3810 []\n",
      "3811 []\n",
      "3812 []\n",
      "3813 [6.3771270279199666]\n",
      "3814 []\n",
      "3815 []\n",
      "3816 []\n",
      "3817 [-8.318742252692399]\n",
      "3818 [-0.8329091229351039]\n",
      "3819 [-0.8329091229351039]\n",
      "3820 []\n",
      "3821 []\n",
      "3822 []\n",
      "3823 []\n",
      "3824 []\n",
      "3825 []\n",
      "3826 []\n",
      "3827 []\n",
      "3828 []\n",
      "3829 []\n",
      "3830 []\n",
      "3831 [-7.313220387090301, -7.313220387090301]\n",
      "3832 [-7.740664401917241, -7.696212639346407]\n",
      "3833 [-8.006367567650246, -7.9724660159745655]\n",
      "3834 []\n",
      "3835 []\n",
      "3836 []\n",
      "3837 []\n",
      "3838 []\n",
      "3839 []\n",
      "3840 []\n",
      "3841 []\n",
      "3842 []\n",
      "3843 []\n",
      "3844 [-4.204692619390966, -4.23410650459726]\n",
      "3845 []\n",
      "3846 []\n",
      "3847 []\n",
      "3848 []\n",
      "3849 []\n",
      "3850 [3.540459448995663]\n",
      "3851 [4.933674252960127]\n",
      "3852 [4.509860006183766]\n",
      "3853 [2.513306124309698]\n",
      "3854 [3.2968373663379125]\n",
      "3855 [5.259096653394756]\n",
      "3856 [3.9633162998156966, 4.3428059215206005]\n",
      "3857 [0.0]\n",
      "3858 []\n",
      "3859 []\n",
      "3860 []\n",
      "3861 []\n",
      "3862 []\n",
      "3863 []\n",
      "3864 []\n",
      "3865 [-3.6109179126442243]\n",
      "3866 []\n",
      "3867 []\n",
      "3868 []\n",
      "3869 []\n",
      "3870 []\n",
      "3871 [-2.890371757896165]\n",
      "3872 []\n",
      "3873 []\n",
      "3874 [-5.480638923341991]\n",
      "3875 []\n",
      "3876 []\n",
      "3877 [-3.044522437723423]\n",
      "3878 []\n",
      "3879 []\n",
      "3880 []\n",
      "3881 []\n",
      "3882 []\n",
      "3883 []\n",
      "3884 []\n",
      "3885 []\n",
      "3886 []\n",
      "3887 [-13.9108207377686]\n",
      "3888 [-6.13122648948314]\n",
      "3889 [2.995732273553991, 3.146555163288575, 2.8473122684357177, 2.3434070875143007]\n",
      "3890 [2.488914671185539, 2.645075401940822, 2.617295837833746, 3.036554268074246, 1.4271163556401458]\n",
      "3891 [2.2072749131897207, 2.563949857128453, 1.7147984280919264, 2.120263536200091, 1.6094379124341003, 0.6539264674066639]\n",
      "3892 [1.83258146374831, 1.7719568419318752, 0.1392620673335076, 1.7719568419318752, 0.07257069283483517, 0.40047756659712525, 0.10536051565782635]\n",
      "3893 [-0.6931471805599453]\n",
      "3894 [0.18632957819149334]\n",
      "3895 [-2.2082744135228043]\n",
      "3896 [0.47803580094299963, 1.1086626245216111, -0.40546510810816444, 1.3093333199837622, -0.7419373447293773, -1.4586150226995167, -0.6418538861723948]\n",
      "3897 [1.1086626245216111, 1.1394342831883646, -1.3350010667323402, 1.6607312068216509, -2.639057329615259, -0.9555114450274365]\n",
      "3898 [0.47803580094299963, 0.2613647641344075, 0.1278333715098848]\n",
      "3899 [-1.252762968495368, -1.8082887711792655, -2.70805020110221, -1.0647107369924282]\n",
      "3900 [-1.9878743481543455, -1.4350845252893227]\n",
      "3901 [-4.941642422609305]\n",
      "3902 [-2.890371757896165]\n",
      "3903 []\n",
      "3904 []\n",
      "3905 [-7.090076835776092]\n",
      "3906 []\n",
      "3907 []\n",
      "3908 [-6.214608098422191]\n",
      "3909 []\n",
      "3910 [-10.126631103850338]\n",
      "3911 []\n",
      "3912 []\n",
      "3913 []\n",
      "3914 [-6.253828811575473]\n",
      "3915 [-13.541073712262515]\n",
      "3916 []\n",
      "3917 []\n",
      "3918 [-1.6863989535702288]\n",
      "3919 [-6.606650186198215]\n",
      "3920 []\n",
      "3921 [-11.238488619268468, -11.26446410567173, -6.272877006546167]\n",
      "3922 [-8.070906088787817, -8.070906088787817]\n",
      "3923 [-9.903487552536127]\n",
      "3924 []\n",
      "3925 [-11.77528972943772]\n",
      "3926 []\n",
      "3927 []\n",
      "3928 [1.1711829815029449]\n",
      "3929 []\n",
      "3930 []\n",
      "3931 []\n",
      "3932 [-0.6931471805599453, 0.9162907318741551, -0.6931471805599453]\n",
      "3933 []\n",
      "3934 [10.819778284410283, 10.819778284410283, 10.770988120240851]\n",
      "3935 []\n",
      "3936 [9.028018815182229, 8.679712120914012]\n",
      "3937 [15.124843877948036]\n"
     ]
    },
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "3938 [5.240048458424061]\n",
      "3939 []\n",
      "3940 []\n",
      "3941 [5.0206856299497575, 4.853631545286591, 4.990832666800076, 5.149897361429764, 5.149897361429764, 5.083205986931091]\n",
      "3942 [5.521460917862246, 5.521460917862246, 5.339139361068292, 5.521460917862246, 5.521460917862246, 5.259096653394756, 5.843044541989709, 5.221356325411908, 5.546778725846536, 5.339139361068292, 5.360192770266124, 5.654992310486769, 5.360192770266124, 5.496768305271875, 5.496768305271875, 5.381698975487088, 4.866534950122499, 5.44914025628262, 5.360192770266124, 5.360192770266124, 5.083205986931091, 5.083205986931091]\n",
      "3943 []\n",
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      "3945 [4.509860006183766, 4.509860006183766]\n",
      "3946 []\n",
      "3947 []\n",
      "3948 [2.3330443004787544, 0.6931471805599453, 2.7181005369557116, 2.703062659591171, 3.2188758248682006]\n",
      "3949 []\n",
      "3950 []\n",
      "3951 []\n",
      "3952 [4.990832666800076]\n",
      "3953 []\n",
      "3954 []\n",
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      "3978 [4.755993075722675]\n",
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      "3980 []\n",
      "3981 []\n",
      "3982 [-1.9600947840472698]\n",
      "3983 [-3.4965075614664802]\n",
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      "3986 []\n",
      "3987 [-7.696212639346407, -8.070906088787817, -7.824046010856292]\n",
      "3988 []\n",
      "3989 [-5.480638923341991]\n",
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      "3991 []\n",
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      "3996 []\n",
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      "4005 []\n",
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      "4009 []\n",
      "4010 []\n",
      "4011 []\n",
      "4012 [4.866534950122499, 4.879607031689852, 4.422848629194137, 4.840892519509161, 4.3428059215206005, 4.9062752787720125, 4.866534950122499]\n",
      "4013 []\n",
      "4014 [-2.639057329615259]\n",
      "4015 []\n",
      "4016 []\n",
      "4017 []\n",
      "4018 [-4.867534450455582]\n",
      "4019 [-4.406719247264253]\n",
      "4020 []\n",
      "4021 []\n",
      "4022 [-13.337474757021274, -23.85876005287556]\n",
      "4023 []\n",
      "4024 []\n",
      "4025 []\n",
      "4026 []\n",
      "4027 []\n",
      "4028 []\n",
      "4029 [4.733003557497976]\n",
      "4030 [5.572754212249797, 5.572754212249797, 5.8781358618009785, 6.214608098422191, 5.546778725846536, 5.713832810509703, 5.744604469176457, 5.713832810509703, 5.952243833954701, 5.278514739251857, 5.521460917862246]\n",
      "4031 [5.8781358618009785, 5.8781358618009785, 5.8781358618009785, 6.119297918617867, 5.683979847360021, 5.683979847360021, 5.683979847360021, 5.626821433520073, 5.683979847360021, 5.8781358618009785]\n",
      "4032 []\n",
      "4033 []\n",
      "4034 [6.3771270279199666, 6.032286541628237, 6.032286541628237]\n",
      "4035 []\n",
      "4036 [6.502290170873972, 6.119297918617867, 6.812445099177812, 6.812445099177812, 6.571283042360924, 6.812445099177812, 6.119297918617867]\n",
      "4037 [6.571283042360924]\n",
      "4038 []\n",
      "4039 []\n",
      "4040 [1.469675970058942]\n",
      "4041 [7.106206217705975, 7.222466023821838]\n",
      "4042 []\n",
      "4043 []\n",
      "4044 []\n",
      "4045 []\n",
      "4046 []\n",
      "4047 []\n",
      "4048 []\n",
      "4049 []\n",
      "4050 [5.184988681241034, 5.240048458424061, 5.240048458424061, 5.259096653394756, 5.240048458424061, 5.381698975487088, 5.339139361068292, 5.259096653394756, 5.2030071867437115, 5.318520073865556, 5.051457288616511, 5.318520073865556, 5.360192770266124, 4.135166556742356, 5.472670753692815, 5.360192770266124, 5.2030071867437115, 5.184988681241034, 5.099466507802871, 6.437751649736401, 5.472670753692815, 2.0402208285265546, 5.221356325411908, 5.2030071867437115, 4.961845129926823, 5.099466507802871, 5.426150738057921, 6.3771270279199666]\n",
      "4051 [5.472670753692815]\n",
      "4052 [5.654992310486769, 5.221356325411908, 0.6733445532637655, 5.403677882205863, 5.1672891041416324, 5.360192770266124]\n",
      "4053 [5.713832810509703, 5.654992310486769]\n",
      "4054 [5.809142990314028, 5.7763531674910364]\n",
      "4055 [5.472670753692815]\n",
      "4056 [5.149897361429764, 5.035953102080546, 5.132802928070463, 4.667045589706179, 4.7914997641795845, 4.074541934925921, 4.074541934925921, 4.710530701645918, 4.710530701645918]\n",
      "4057 [5.599422459331958, 5.06720564558465, 5.360192770266124, 5.051457288616511]\n",
      "4058 [6.032286541628237]\n",
      "4059 [7.402051600796917, 7.402051600796917, 7.402051600796917, 7.469874197135678, 7.523941418405954, 7.385791079925137, 7.523941418405954, 7.469874197135678, 7.469874197135678, 7.1308988302963465, 7.706262975199909, 7.195437351433918, 9.27221577569427, 7.5810998322459024]\n",
      "4060 [3.863232841258714]\n",
      "4061 []\n",
      "4062 []\n",
      "4063 [5.496768305271875]\n",
      "4064 [5.426150738057921, 5.683979847360021, 5.403677882205863, 5.403677882205863, 5.683979847360021, 5.426150738057921]\n",
      "4065 [5.496768305271875, 5.496768305271875]\n",
      "4066 []\n",
      "4067 []\n",
      "4068 [3.540459448995663, 3.506557897319982, 3.506557897319982, 3.506557897319982, 3.506557897319982]\n",
      "4069 [3.2188758248682006, 3.1941832122778293]\n",
      "4070 []\n",
      "4071 []\n",
      "4072 []\n",
      "4073 []\n",
      "4074 [3.1941832122778293, 3.324236340526027]\n",
      "4075 [1.2378743560016174, 3.7722610630529876, 3.7722610630529876]\n",
      "4076 []\n",
      "4077 [8.468403027246806, 8.517193191416238, 8.517193191416238, 8.468403027246806, 8.421883011611913, 8.804875263868018, 8.804875263868018, 8.334871634622283, 8.468403027246806, 7.986564940354067, 11.042921835724492, 8.517193191416238, 8.468403027246806, 8.517193191416238, 8.568486485803788]\n",
      "4078 nan\n",
      "4079 []\n",
      "4080 [-6.887552571664617, -6.887552571664617, -9.20029003612268, -6.84587987526405, -1.4816045409242156, -1.4816045409242156, -2.639057329615259]\n",
      "4081 [5.298317366548036, 5.298317366548036]\n",
      "4082 []\n",
      "4083 [-4.007333185232471]\n",
      "4084 []\n",
      "4085 []\n",
      "4086 []\n",
      "4087 []\n",
      "4088 []\n",
      "4089 []\n",
      "4090 []\n",
      "4091 []\n",
      "4092 []\n",
      "4093 []\n",
      "4094 []\n",
      "4095 []\n",
      "4096 []\n",
      "4097 [-12.971540487669746]\n",
      "4098 []\n",
      "4099 []\n",
      "4100 []\n",
      "4101 []\n",
      "4102 [-5.598421958998375]\n",
      "4103 []\n",
      "4104 [-2.70805020110221]\n",
      "4105 []\n",
      "4106 []\n",
      "4107 []\n",
      "4108 []\n",
      "4109 []\n",
      "4110 [1.7719568419318752, 1.83258146374831, 1.5141277326297755]\n",
      "4111 [-8.496990484098719]\n",
      "4112 []\n",
      "4113 []\n",
      "4114 []\n",
      "4115 []\n",
      "4116 []\n",
      "4117 []\n",
      "4118 []\n",
      "4119 [3.1941832122778293]\n",
      "4120 [-10.736396675471232, -10.51867319162636]\n",
      "4121 []\n",
      "4122 []\n",
      "4123 [-4.532599493153256, -3.4011973816621555]\n",
      "4124 []\n",
      "4125 []\n",
      "4126 []\n",
      "4127 []\n",
      "4128 []\n",
      "4129 [-6.8243736700430855]\n",
      "4130 [-9.998797732340453]\n",
      "4131 [-9.95227771670556, -17.72753356339242, -9.95227771670556]\n",
      "4132 []\n",
      "4133 []\n",
      "4134 [-8.318742252692399, -8.99961934066053, -9.02401079378469, -8.318742252692399]\n",
      "4135 []\n",
      "4136 [-6.709304340258298, -7.600902459542082, -7.600902459542082, -14.880221294956703, -6.633318433280377]\n",
      "4137 [-6.152732694704104, -6.551080335043404, -6.646390514847729, -13.997832114758229, -6.76849321164863]\n",
      "4138 []\n",
      "4139 []\n",
      "4140 []\n",
      "4141 [-6.476972362889683]\n",
      "4142 []\n",
      "4143 []\n",
      "4144 []\n",
      "4145 [-3.58351893845611]\n",
      "4146 []\n",
      "4147 []\n",
      "4148 []\n",
      "4149 []\n",
      "4150 []\n",
      "4151 []\n",
      "4152 [-13.16158409055761, -10.87804719253426, -9.615805480084347]\n",
      "4153 []\n",
      "4154 []\n",
      "4155 []\n",
      "4156 []\n",
      "4157 []\n",
      "4158 [-18.75715298057358]\n",
      "4159 [-10.645424897265505, -10.645424897265505, -8.242756345714477]\n",
      "4160 [-8.794824928014517, -8.974618038455112, -8.039157390473237, -0.6418538861723948]\n",
      "4161 [-8.216088098632316]\n",
      "4162 [-9.740968623038354, -9.740968623038354]\n",
      "4163 [-15.068273526459642]\n",
      "4164 []\n",
      "4165 [-4.406719247264253]\n",
      "4166 [-5.075173815233827, -5.075173815233827]\n",
      "4167 []\n",
      "4168 []\n",
      "4169 []\n",
      "4170 [-11.31447452624639]\n",
      "4171 [-12.676076274775909]\n",
      "4172 [-17.216707939626428]\n",
      "4173 []\n",
      "4174 []\n",
      "4175 [-5.298317366548036]\n",
      "4176 [-2.0412203288596382, -0.7884573603642702, -0.5306282510621704, -1.9315214116032136, -2.3978952727983707, -2.3025850929940455, -2.0281482472922856]\n",
      "4177 [0.5798184952529422, 3.270169119255751, 0.47803580094299963, 0.020202707317519254, 0.8675005677047231, 0.020202707317519254, 0.30110509278392145]\n",
      "4178 [-13.060487973686241, -13.060487973686241]\n",
      "4179 []\n",
      "4180 []\n",
      "4181 [-8.411832675758411]\n",
      "4182 [-15.38412647587812]\n",
      "4183 [-2.3978952727983707, -3.1354942159291497]\n",
      "4184 [3.1941832122778293, 0.9675840262617057, 2.4534079827286295, -23.85876005287556]\n",
      "4185 [1.1394342831883646, 0.7133498878774646, 0.7133498878774646]\n",
      "4186 []\n",
      "4187 [-9.011889433252344]\n",
      "4188 [-2.1162555148025524, -9.035986984831405]\n",
      "4189 [-0.6418538861723948]\n",
      "4190 [-10.341742483467284, -10.341742483467284]\n",
      "4191 [2.120263536200091, -0.587786664902119]\n",
      "4192 [-10.341742483467284, -11.06663836234181]\n",
      "4193 [-13.710150042306449, -7.937374696163295]\n",
      "4194 [-19.644456175574483]\n",
      "4195 []\n",
      "4196 [-9.011889433252344, -6.672032945461067]\n",
      "4197 []\n",
      "4198 []\n",
      "4199 [-8.556413904569519, -8.575462099540212]\n",
      "4200 [-11.502875129116727]\n",
      "4201 [-6.672032945461067]\n",
      "4202 []\n",
      "4203 [-7.24422751560335, 4.933674252960127, 4.933674252960127]\n",
      "4204 [-4.605170185988091]\n",
      "4205 []\n",
      "4206 [-12.043553716032399]\n",
      "4207 []\n",
      "4208 [-25.04075395048272]\n",
      "4209 [-9.615805480084347]\n",
      "4210 []\n",
      "4211 []\n",
      "4212 [-29.735155270198756]\n",
      "4213 [-18.390221536467656]\n",
      "4214 []\n",
      "4215 []\n",
      "4216 []\n",
      "4217 [-12.971540487669746]\n",
      "4218 [-9.472704636443673]\n",
      "4219 [-0.8329091229351039]\n",
      "4220 [-24.97176107899577]\n",
      "4221 []\n",
      "4222 [-25.859064273996673]\n",
      "4223 []\n",
      "4224 [-25.223075507276675]\n",
      "4225 []\n",
      "4226 []\n",
      "4227 [-8.935903526274423]\n",
      "4228 []\n",
      "4229 []\n",
      "4230 []\n",
      "4231 []\n",
      "4232 []\n",
      "4233 []\n",
      "4234 []\n",
      "4235 []\n",
      "4236 []\n",
      "4237 []\n",
      "4238 []\n",
      "4239 []\n",
      "4240 []\n",
      "4241 []\n",
      "4242 []\n",
      "4243 []\n",
      "4244 []\n",
      "4245 []\n",
      "4246 []\n",
      "4247 []\n",
      "4248 []\n",
      "4249 [-23.85876005287556]\n",
      "4250 [-10.373491181781864]\n",
      "4251 []\n",
      "4252 []\n",
      "4253 []\n",
      "4254 []\n",
      "4255 []\n",
      "4256 []\n",
      "4257 []\n",
      "4258 []\n",
      "4259 []\n",
      "4260 []\n",
      "4261 []\n",
      "4262 []\n",
      "4263 []\n",
      "4264 []\n",
      "4265 []\n",
      "4266 []\n",
      "4267 []\n",
      "4268 []\n",
      "4269 []\n",
      "4270 []\n",
      "4271 []\n",
      "4272 []\n",
      "4273 []\n",
      "4274 []\n",
      "4275 []\n",
      "4276 [-14.346138809026444]\n",
      "4277 []\n",
      "4278 []\n",
      "4279 []\n",
      "4280 [-20.36659089300768]\n",
      "4281 [-7.438383530044308]\n",
      "4282 []\n",
      "4283 []\n",
      "4284 []\n",
      "4285 [-10.87804719253426]\n",
      "4286 []\n",
      "4287 [-29.82824569326477]\n",
      "4288 []\n",
      "4289 []\n",
      "4290 [-3.044522437723423]\n",
      "4291 []\n",
      "4292 []\n",
      "4293 [-19.67344371244773]\n",
      "4294 [-4.700480365792417]\n",
      "4295 []\n",
      "4296 []\n",
      "4297 []\n",
      "4298 []\n",
      "4299 [1.203972804325936, 0.8915981192837835]\n",
      "4300 []\n",
      "4301 [0.07257069283483517]\n",
      "4302 []\n",
      "4303 []\n",
      "4304 []\n",
      "4305 []\n",
      "4306 [0.06187540371808745]\n",
      "4307 [-0.3364722366212129, -0.3364722366212129, -0.3364722366212129, -0.3364722366212129, -0.2623642644674911, -0.3364722366212129, 1.8971199848858813, -0.40546510810816444, 1.0788096613719298, 2.0402208285265546, 0.08338160893905121]\n",
      "4308 [-3.2188758248682006, -3.0910424533583156, -2.9444389791664407, -0.916290731874155, -0.0953101798043249, -2.772588722239781]\n",
      "4309 [-13.617059619240436]\n",
      "4310 [0.7985076962177716]\n",
      "4311 []\n",
      "4312 [-8.83927669058535]\n",
      "4313 []\n",
      "4314 []\n",
      "4315 []\n",
      "4316 []\n",
      "4317 []\n",
      "4318 []\n",
      "4319 [-10.46310334047155]\n",
      "4320 []\n",
      "4321 [-0.40546510810816444]\n",
      "4322 [-20.617905321288585]\n",
      "4323 [-12.206072645530174]\n",
      "4324 [1.1086626245216111, -2.772588722239781]\n",
      "4325 []\n",
      "4326 [-24.249626361562573]\n",
      "4327 [-0.2623642644674911]\n",
      "4328 [-21.639556568820566]\n",
      "4329 [-23.85876005287556]\n",
      "4330 [-21.46520318167579]\n",
      "4331 []\n",
      "4332 [-5.247024072160486, -10.126631103850338]\n",
      "4333 [-7.24422751560335, -7.313220387090301, -0.5306282510621704]\n",
      "4334 [-4.867534450455582, -0.9555114450274365]\n",
      "4335 [-8.216088098632316]\n",
      "4336 [-0.9555114450274365, -2.2300144001592104, -1.3862943611198906, -0.9555114450274365]\n",
      "4337 [0.19845093872383823, 0.1278333715098848, 0.020202707317519254]\n",
      "4338 [-2.5649493574615367, -5.075173815233827]\n",
      "4339 [-2.9444389791664407, -1.589235205116581, -3.6109179126442243, -4.060443010546419, -3.6109179126442243]\n",
      "4340 []\n",
      "4341 [-10.373491181781864, -11.918390573078392]\n",
      "4342 []\n",
      "4343 []\n",
      "4344 [-7.649692623711514]\n",
      "4345 [-3.2188758248682006]\n",
      "4346 [-9.998797732340453]\n",
      "4347 [-22.428013929184836]\n",
      "4348 []\n",
      "4349 [-6.040254711277414]\n",
      "4350 []\n",
      "4351 []\n",
      "4352 []\n",
      "4353 [1.5606477482646683]\n",
      "4354 [-22.481123754498785]\n",
      "4355 [-23.85876005287556]\n",
      "4356 [-16.523560759066484]\n",
      "4357 [-3.6888794541139363]\n",
      "4358 [-9.392661928770137]\n",
      "4359 [-8.45531778769815]\n",
      "4360 []\n",
      "4361 []\n",
      "4362 []\n",
      "4363 []\n",
      "4364 []\n",
      "4365 []\n",
      "4366 [-2.2925347571405443]\n",
      "4367 [-3.8501476017100584]\n",
      "4368 []\n",
      "4369 [3.101092789211817]\n",
      "4370 []\n",
      "4371 []\n",
      "4372 [-7.24422751560335]\n",
      "4373 []\n",
      "4374 []\n",
      "4375 []\n",
      "4376 [-5.598421958998375, -4.941642422609305]\n",
      "4377 [-12.388394202324129]\n",
      "4378 [1.5141277326297755]\n",
      "4379 []\n",
      "4380 []\n",
      "4381 [-10.714417768752456]\n",
      "4382 [-2.70805020110221]\n",
      "4383 []\n",
      "4384 [-1.9459101490553135, -2.772588722239781, -1.5686159179138452]\n",
      "4385 []\n",
      "4386 [-7.438383530044308, -7.438383530044308, -7.438383530044308]\n",
      "4387 []\n",
      "4388 []\n",
      "4389 []\n",
      "4390 [-1.0986122886681098]\n",
      "4391 []\n",
      "4392 []\n",
      "4393 []\n",
      "4394 []\n",
      "4395 []\n",
      "4396 []\n",
      "4397 []\n",
      "4398 [-2.4849066497880004]\n",
      "4399 []\n",
      "4400 []\n",
      "4401 []\n",
      "4402 []\n",
      "4403 [-3.8066624897703196]\n",
      "4404 []\n",
      "4405 []\n",
      "4406 []\n",
      "4407 []\n",
      "4408 []\n",
      "4409 []\n",
      "4410 []\n",
      "4411 []\n",
      "4412 []\n",
      "4413 []\n",
      "4414 []\n",
      "4415 [-4.787491742782046]\n",
      "4416 []\n",
      "4417 []\n",
      "4418 []\n",
      "4419 []\n",
      "4420 [-14.403297222866394]\n",
      "4421 [-16.811242831518264]\n",
      "4422 [-4.189654742026425, -4.174387269895637]\n",
      "4423 [-19.209138104316636]\n",
      "4424 [-16.523560759066484]\n",
      "4425 [-12.206072645530174]\n",
      "4426 []\n",
      "4427 [-4.127134385045092]\n",
      "4428 [-7.3777589082278725]\n",
      "4429 [-9.305650551780507]\n",
      "4430 [-1.6094379124341003]\n",
      "4431 []\n",
      "4432 [-2.833213344056216, -2.890371757896165]\n",
      "4433 [-6.1092475827643655]\n",
      "4434 []\n",
      "4435 [-1.252762968495368]\n",
      "4436 [-0.7419373447293773, -0.7884573603642702]\n",
      "4437 [-8.101677747454572]\n",
      "4438 []\n",
      "4439 [-17.14771506813948]\n",
      "4440 []\n",
      "4441 [-18.049617062561534]\n",
      "4442 [-6.697034247666484, -13.270783382522602, -13.304684934198283, -13.287877815881902]\n",
      "4443 [-3.6635616461296463, 2.513306124309698, -2.833213344056216, -1.6486586255873819, -1.667706820558076]\n",
      "4444 [-1.0986122886681098]\n",
      "4445 []\n",
      "4446 []\n",
      "4447 []\n",
      "4448 [-4.060443010546419, -8.366370301681654]\n",
      "4449 []\n",
      "4450 []\n",
      "4451 []\n",
      "4452 []\n",
      "4453 []\n",
      "4454 [-8.612503371220562, -8.594154232552366]\n",
      "4455 [-5.8289456176102075, -8.131530710604252, -8.1886891244442]\n",
      "4456 []\n",
      "4457 [3.649658740960655]\n",
      "4458 [-1.0296194171811581, -1.0296194171811581]\n",
      "4459 [0.9675840262617057]\n",
      "4460 [1.8971199848858813]\n",
      "4461 []\n",
      "4462 [-1.308332819650179, -1.308332819650179, -1.3862943611198906, -1.3862943611198906]\n",
      "4463 []\n",
      "4464 []\n",
      "4465 [1.0498221244986776]\n",
      "4466 [-23.85876005287556]\n",
      "4467 []\n",
      "4468 [-5.91350300563827, -5.886104031450156]\n",
      "4469 [-2.3025850929940455]\n",
      "4470 [-0.7419373447293773, 0.010050335853501286, -0.40546510810816444]\n",
      "4471 [0.7550225842780328]\n",
      "4472 []\n",
      "4473 [-1.8082887711792655]\n",
      "4474 [-5.298317366548036]\n",
      "4475 [-0.7884573603642702, -1.2237754316221157]\n",
      "4476 []\n",
      "4477 [-4.110873864173311, -4.110873864173311]\n",
      "4478 [-2.3978952727983707, -1.5040773967762742, -1.5040773967762742, -1.5040773967762742]\n",
      "4479 []\n",
      "4480 [0.8915981192837835, 0.8915981192837835]\n",
      "4481 [-3.258096538021482, -3.4339872044851463, -3.4339872044851463]\n",
      "4482 [-0.3364722366212129, -0.3364722366212129]\n",
      "4483 [-1.916922612182061, -3.8066624897703196, -3.8066624897703196]\n",
      "4484 [-6.507277712385012, -7.600902459542082, -6.0867747269123065, -5.521460917862246, -6.063785208687608, -5.135798437050262, -8.895629627136483, -3.258096538021482]\n",
      "4485 []\n",
      "4486 [-2.0281482472922856]\n",
      "4487 []\n",
      "4488 [-7.495541943884256, -4.584967478670572]\n",
      "4489 [-2.3978952727983707, -2.3978952727983707]\n",
      "4490 [-3.5263605246161616, -0.2623642644674911]\n",
      "4491 [-5.560681631015528]\n",
      "4492 [-8.131530710604252, -8.131530710604252]\n",
      "4493 [-8.517193191416238, -9.472704636443673, -2.639057329615259]\n",
      "4494 [-4.007333185232471]\n",
      "4495 []\n",
      "4496 []\n",
      "4497 [-16.811242831518264, -16.811242831518264]\n",
      "4498 [-10.621327345686446, -9.071078304642676, -9.116029692504942]\n",
      "4499 []\n",
      "4500 [-7.24422751560335, -8.66561319653451, -8.66561319653451]\n",
      "4501 [-12.388394202324129, -12.388394202324129]\n",
      "4502 [-11.407564949312402]\n",
      "4503 [-8.794824928014517]\n",
      "4504 []\n",
      "4505 [-23.85876005287556]\n",
      "4506 [-3.912023005428146, -5.560681631015528, -5.075173815233827, -4.59511985013459, -3.8501476017100584, -4.59511985013459, -3.8501476017100584, -4.5217885770490405, -7.649692623711514, -5.075173815233827]\n",
      "4507 [-2.3025850929940455, -2.4849066497880004, -2.3978952727983707]\n",
      "4508 []\n",
      "4509 [-0.587786664902119]\n",
      "4510 [-4.418840607796598, -2.3978952727983707, -6.721425700790643, -5.634789603169249, -3.295836866004329, -2.70805020110221]\n",
      "4511 [-4.31748811353631]\n",
      "4512 []\n",
      "4513 [-8.131530710604252, -8.070906088787817, -5.736572297479192]\n",
      "4514 [-4.787491742782046, -4.2626798770413155, -3.912023005428146, -3.912023005428146, -4.418840607796598, -3.7376696182833684, -7.3777589082278725, -2.0918640616783932, -2.5649493574615367, -2.3025850929940455, -3.4965075614664802]\n",
      "4515 [-2.772588722239781]\n",
      "4516 [-5.3471075307174685]\n",
      "4517 []\n",
      "4518 [-7.090076835776092, -7.170119543449628, -7.003065458786462]\n",
      "4519 [-2.772588722239781]\n",
      "4520 [-6.813444599510896, -7.090076835776092]\n",
      "4521 [-5.768320995793772]\n",
      "4522 [-4.605170185988091]\n",
      "4523 [-3.828641396489095, -4.5217885770490405, -2.70805020110221, -2.3978952727983707, -4.430816798843313, -4.477336814478207, -3.2188758248682006, -2.70805020110221, -1.9021075263969205, -4.605170185988091, -2.5649493574615367]\n",
      "4524 []\n",
      "4525 [-7.003065458786462]\n",
      "4526 [-1.252762968495368]\n",
      "4527 [1.7147984280919264]\n",
      "4528 [-7.003065458786462]\n",
      "4529 [-3.0910424533583156]\n",
      "4530 [-4.787491742782046, -5.480638923341991, -5.480638923341991]\n",
      "4531 [3.3813947543659757]\n",
      "4532 []\n",
      "4533 [0.7339691750802005, 4.074541934925921, 1.1711829815029449]\n",
      "4534 [4.074541934925921]\n",
      "4535 []\n",
      "4536 [0.10536051565782635, -4.31748811353631]\n",
      "4537 [4.605170185988092, 10.349774655164547, 10.349774655164547]\n",
      "4538 []\n",
      "4539 [-3.891820298110627, -3.0910424533583156]\n",
      "4540 [-4.499809670330265]\n",
      "4541 [-1.410986973710262, -0.916290731874155, -1.0647107369924282, -1.1939224684724346]\n",
      "4542 [-4.605170185988091, -3.7376696182833684, -3.7376696182833684, -3.784189633918261]\n",
      "4543 [-5.521460917862246, -5.480638923341991]\n",
      "4544 [-2.9444389791664407, -4.700480365792417, -4.276666119016055]\n",
      "4545 [-0.587786664902119, -0.7419373447293773, 1.5141277326297755, -1.1314021114911006, -0.8754687373538999, 0.08338160893905121, -0.5306282510621704, 0.5621189181535412, 0.21072103131565253, -1.2237754316221157, -0.3364722366212129]\n",
      "4546 [-23.85876005287556]\n",
      "4547 []\n",
      "4548 [-4.007333185232471, -1.9600947840472698, -1.9600947840472698]\n",
      "4549 [2.302585092994046, 2.2072749131897207]\n",
      "4550 []\n",
      "4551 [-6.1092475827643655, -6.429719478039138]\n",
      "4552 [-0.7884573603642702, -23.85876005287556]\n",
      "4553 []\n",
      "4554 []\n",
      "4555 []\n",
      "4556 []\n",
      "4557 []\n",
      "4558 []\n",
      "4559 []\n",
      "4560 []\n",
      "4561 [-21.854667948437513]\n",
      "4562 [12.98260143502917, 12.940041820610373]\n",
      "4563 [12.480509491231935]\n",
      "4564 [2.659260036932778, 1.5141277326297755]\n",
      "4565 [-23.85876005287556]\n",
      "4566 [-7.937374696163295, 1.2378743560016174]\n",
      "4567 []\n",
      "4568 [7.222466023821838]\n",
      "4569 []\n",
      "4570 []\n",
      "4571 [13.553146293496782, 8.679712120914012, 8.078938260485081, 14.076875322098681, 13.815510557964274, 13.815510557964274, 12.38042603267495]\n",
      "4572 [14.894320219336205, 12.621588089491839, 12.822258784953991, 15.088476233777161, 15.088476233777161, 13.633189001170319]\n",
      "4573 [15.781623414337107, 14.360237733405945, 14.809762831308142, 14.659480628258803, 14.98669353946722]\n",
      "4574 [16.25735771829183]\n",
      "4575 [17.42742897094208]\n",
      "4576 [18.695117589654124]\n",
      "4577 [19.529343368473977]\n",
      "4578 [12.09274396022317]\n",
      "4579 [14.130221302803974, 14.001840136155767, 10.982297213908058, 10.982297213908058, 9.028018815182229, 13.41004544985611, 13.345506928718539, 14.001840136155767, 12.822258784953991]\n",
      "4580 [15.088476233777161, 15.01948336229021, 10.289150033348113, 10.381523353479128, 9.511445464760104, 12.98260143502917, 13.027053197600004, 13.41004544985611]\n",
      "4581 [14.73180128983843, 9.596002852788168, 8.804875263868018, 12.454534004828673]\n",
      "4582 [1.7147984280919264]\n",
      "4583 [5.683979847360021]\n",
      "4584 [5.914503505971854]\n",
      "4585 [6.812445099177812]\n",
      "4586 [8.377431249041079]\n",
      "4587 [9.567015315914915]\n",
      "4588 []\n",
      "4589 []\n",
      "4590 [-7.9724660159745655]\n",
      "4591 [-7.901007051992421, -8.216088098632316]\n",
      "4592 [-9.680344001221918, -12.254862809699606]\n",
      "4593 []\n",
      "4594 [3.473768074496991]\n",
      "4595 []\n",
      "4596 []\n",
      "4597 []\n",
      "4598 [11.574800868688316, 11.543384672454938, 11.330603908176274]\n",
      "4599 [12.007221786785008, 12.07504438312377, 11.417615285165903]\n",
      "4600 []\n",
      "4601 [-4.330733340286331]\n",
      "4602 [-8.496990484098719]\n",
      "4603 [-15.341566861459324]\n",
      "4604 [6.6453910145146455, 6.165817934252759, 6.6453910145146455, 6.502290170873972, 6.6453910145146455, 5.7763531674910364]\n",
      "4605 []\n",
      "4606 []\n",
      "4607 []\n",
      "4608 []\n",
      "4609 []\n",
      "4610 [-6.887552571664617, -7.313220387090301]\n",
      "4611 [-9.615805480084347]\n",
      "4612 []\n",
      "4613 [-3.0910424533583156, -2.70805020110221, -2.995732273553991, -3.258096538021482, -2.70805020110221]\n",
      "4614 []\n",
      "4615 []\n",
      "4616 []\n",
      "4617 []\n",
      "4618 []\n",
      "4619 [-5.940171252720432]\n",
      "4620 []\n",
      "4621 [-1.308332819650179]\n",
      "4622 []\n",
      "4623 []\n",
      "4624 [0.5447271754416722]\n",
      "4625 []\n",
      "4626 []\n",
      "4627 [11.042921835724492]\n",
      "4628 []\n",
      "4629 []\n",
      "4630 []\n",
      "4631 [11.250561200502737, 11.250561200502737]\n"
     ]
    }
   ],
   "source": [
    "mean_constant_list = [] #take mean for each list of constants\n",
    "for i in range(0, len(constant_list)):\n",
    "    if type(constant_list[i]) == list:\n",
    "        mean_constant_list.append(np.mean(constant_list[i]))\n",
    "    else:\n",
    "        mean_constant_list.append(np.nan)\n",
    "        \n",
    "first_constant_list = [] #use first constant in each case\n",
    "for i in range(0, len(constant_list)):\n",
    "    print(i, constant_list[i])\n",
    "    if type(constant_list[i]) == list:\n",
    "        if len(constant_list[i]) > 0:\n",
    "            first_constant_list.append(constant_list[i][0])\n",
    "        else:\n",
    "            first_constant_list.append(np.nan)\n",
    "    else:\n",
    "        first_constant_list.append(np.nan)"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Construct dataframe of SMILES, names and constants for all species"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:18:23.681335Z",
     "start_time": "2019-12-03T16:18:23.652258Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "0         O=O\n",
       "1     O=[O]=O\n",
       "2      [H][H]\n",
       "3         [H]\n",
       "4    [2H][2H]\n",
       "Name: 1, dtype: object"
      ]
     },
     "execution_count": 25,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smiles_list = pd.read_csv('smiles_constants.csv').iloc[:, 2] #already constructed smiles list from CAS numbers\n",
    "smiles_list.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:19:28.101793Z",
     "start_time": "2019-12-03T16:19:27.985485Z"
    }
   },
   "outputs": [],
   "source": [
    "smiles_constant_species = pd.concat([pd.Series(species_list), #creating dataframe to hold all info found so far\n",
    "                                     pd.Series(smiles_list),\n",
    "                                     pd.Series(mean_constant_list), #kept first Kh and mean in each case\n",
    "                                     pd.Series(first_constant_list), #will train on both sets and see which is better\n",
    "                                    pd.Series(vary_list_1), #one-hot encoded variation in constants\n",
    "                                    pd.Series(vary_list_2), #to be used for highlighting after training\n",
    "                                    pd.Series(vary_list_3), # /not/ to be used as a feature\n",
    "                                    pd.Series(vary_list_4), #perhaps could be used to weight certain species?\n",
    "                                    pd.Series(vary_list_5),\n",
    "                                    pd.Series(vary_list_6),\n",
    "                                    pd.Series(vary_list_7),\n",
    "                                    pd.Series(vary_list_8),\n",
    "                                    pd.Series(vary_list_9)],\n",
    "                                    axis=1)\n",
    "smiles_constant_species.to_csv('smiles_constants_kh.csv') #export so all the work isn't lost\n",
    "smiles_constant_species.set_index(0, inplace=True)\n",
    "smiles_constant_species.rename({'1':'SMILES', 1:'Kh_mean', 2:'Kh_first', 3:'Varying_1',\n",
    "                               4:'Varying_2', 5:'Varying_3', 6:'Varying_4', 7:'Varying_5',\n",
    "                               8:'Varying_6', 9:'Varying_7', 10:'Varying_8', 11:'Varying_9'}, axis=1, inplace=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:19:30.071022Z",
     "start_time": "2019-12-03T16:19:30.057001Z"
    }
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>SMILES</th>\n",
       "      <th>Kh_mean</th>\n",
       "      <th>Kh_first</th>\n",
       "      <th>Varying_1</th>\n",
       "      <th>Varying_2</th>\n",
       "      <th>Varying_3</th>\n",
       "      <th>Varying_4</th>\n",
       "      <th>Varying_5</th>\n",
       "      <th>Varying_6</th>\n",
       "      <th>Varying_7</th>\n",
       "      <th>Varying_8</th>\n",
       "      <th>Varying_9</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>oxygen</th>\n",
       "      <td>O=O</td>\n",
       "      <td>11.267713</td>\n",
       "      <td>11.330604</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ozone</th>\n",
       "      <td>O=[O]=O</td>\n",
       "      <td>9.508258</td>\n",
       "      <td>9.210340</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>hydrogen atom</th>\n",
       "      <td>[H][H]</td>\n",
       "      <td>12.859999</td>\n",
       "      <td>12.859999</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>hydrogen</th>\n",
       "      <td>[H]</td>\n",
       "      <td>11.768784</td>\n",
       "      <td>11.761387</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>deuterium</th>\n",
       "      <td>[2H][2H]</td>\n",
       "      <td>11.748648</td>\n",
       "      <td>11.748648</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                 SMILES    Kh_mean   Kh_first  Varying_1  Varying_2  \\\n",
       "0                                                                     \n",
       "oxygen              O=O  11.267713  11.330604          0          0   \n",
       "ozone           O=[O]=O   9.508258   9.210340          1          1   \n",
       "hydrogen atom    [H][H]  12.859999  12.859999          0          0   \n",
       "hydrogen            [H]  11.768784  11.761387          0          0   \n",
       "deuterium      [2H][2H]  11.748648  11.748648          0          0   \n",
       "\n",
       "               Varying_3  Varying_4  Varying_5  Varying_6  Varying_7  \\\n",
       "0                                                                      \n",
       "oxygen                 0          0          0          0          0   \n",
       "ozone                  1          1          0          0          0   \n",
       "hydrogen atom          0          0          0          0          0   \n",
       "hydrogen               0          0          0          0          0   \n",
       "deuterium              0          0          0          0          0   \n",
       "\n",
       "               Varying_8  Varying_9  \n",
       "0                                    \n",
       "oxygen                 0          0  \n",
       "ozone                  0          0  \n",
       "hydrogen atom          0          0  \n",
       "hydrogen               0          0  \n",
       "deuterium              0          0  "
      ]
     },
     "execution_count": 32,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "smiles_constant_species.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Dropping species with no experimental constants"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:19:47.800643Z",
     "start_time": "2019-12-03T16:19:47.786606Z"
    }
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Species to drop:  2100\n"
     ]
    }
   ],
   "source": [
    "print('Species to drop: ', len(const_list_df[const_list_df['Num'] == 0]))\n",
    "no_constants = const_list_df[const_list_df['Num'] == 0]\n",
    "to_drop = list(no_constants.index.values)\n",
    "constants = const_list_df[const_list_df['Num'] != 0]\n",
    "to_keep = list(constants.index)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 35,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:19:50.238688Z",
     "start_time": "2019-12-03T16:19:50.212620Z"
    }
   },
   "outputs": [
    {
     "data": {
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       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>SMILES</th>\n",
       "      <th>Kh_mean</th>\n",
       "      <th>Kh_first</th>\n",
       "      <th>Varying_1</th>\n",
       "      <th>Varying_2</th>\n",
       "      <th>Varying_3</th>\n",
       "      <th>Varying_4</th>\n",
       "      <th>Varying_5</th>\n",
       "      <th>Varying_6</th>\n",
       "      <th>Varying_7</th>\n",
       "      <th>Varying_8</th>\n",
       "      <th>Varying_9</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
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       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>oxygen</th>\n",
       "      <td>O=O</td>\n",
       "      <td>11.267713</td>\n",
       "      <td>11.330604</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
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       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ozone</th>\n",
       "      <td>O=[O]=O</td>\n",
       "      <td>9.508258</td>\n",
       "      <td>9.210340</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>hydrogen atom</th>\n",
       "      <td>[H][H]</td>\n",
       "      <td>12.859999</td>\n",
       "      <td>12.859999</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>hydrogen</th>\n",
       "      <td>[H]</td>\n",
       "      <td>11.768784</td>\n",
       "      <td>11.761387</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
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       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>deuterium</th>\n",
       "      <td>[2H][2H]</td>\n",
       "      <td>11.748648</td>\n",
       "      <td>11.748648</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                 SMILES    Kh_mean   Kh_first  Varying_1  Varying_2  \\\n",
       "0                                                                     \n",
       "oxygen              O=O  11.267713  11.330604          0          0   \n",
       "ozone           O=[O]=O   9.508258   9.210340          1          1   \n",
       "hydrogen atom    [H][H]  12.859999  12.859999          0          0   \n",
       "hydrogen            [H]  11.768784  11.761387          0          0   \n",
       "deuterium      [2H][2H]  11.748648  11.748648          0          0   \n",
       "\n",
       "               Varying_3  Varying_4  Varying_5  Varying_6  Varying_7  \\\n",
       "0                                                                      \n",
       "oxygen                 0          0          0          0          0   \n",
       "ozone                  1          1          0          0          0   \n",
       "hydrogen atom          0          0          0          0          0   \n",
       "hydrogen               0          0          0          0          0   \n",
       "deuterium              0          0          0          0          0   \n",
       "\n",
       "               Varying_8  Varying_9  \n",
       "0                                    \n",
       "oxygen                 0          0  \n",
       "ozone                  0          0  \n",
       "hydrogen atom          0          0  \n",
       "hydrogen               0          0  \n",
       "deuterium              0          0  "
      ]
     },
     "execution_count": 35,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "filtered_smiles_constant_species = smiles_constant_species.loc[to_keep]\n",
    "filtered_smiles_constant_species.rename({1:'SMILES', 2:'Constant', 3:'Varying'}, axis=1, inplace=True)\n",
    "filtered_smiles_constant_species.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "2100 species no longer have constants - this is from the entire set, not just organics.\n",
    "\n",
    "Now to get the list of smiles strings for this experimental set"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Organic/inorganic split"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:19:54.822066Z",
     "start_time": "2019-12-03T16:19:54.240483Z"
    }
   },
   "outputs": [],
   "source": [
    "carbons_list = [] ; no_carbons_list = []\n",
    "for i in range(0, len(filtered_smiles_constant_species)):\n",
    "    smiles = filtered_smiles_constant_species.SMILES.iloc[i]\n",
    "    try:\n",
    "        mol = Chem.MolFromSmiles(smiles) # create rdkit mol object\n",
    "        smarts = Chem.MolToSmarts(mol) # use mol object to create SMARTS\n",
    "    except:\n",
    "        smarts = 'x' #mark failed species in the list\n",
    "    name = filtered_smiles_constant_species.index[i]\n",
    "    if type(smarts) == str:\n",
    "        if '#6' in smarts:\n",
    "            carbons_list.append(i) # RDKit SMARTS strings work by atomic number (hence carbon = #6)\n",
    "        else:\n",
    "            no_carbons_list.append(i) # append non-carbon-containing species to a seperate list"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:19:56.532622Z",
     "start_time": "2019-12-03T16:19:56.525603Z"
    }
   },
   "outputs": [],
   "source": [
    "organics = filtered_smiles_constant_species.iloc[carbons_list] # new df containing carbon compounds only"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Removing metal-containing species"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 39,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:19:58.727461Z",
     "start_time": "2019-12-03T16:19:58.261222Z"
    }
   },
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\jtd1g16\\AppData\\Local\\Continuum\\anaconda3\\lib\\site-packages\\pandas\\core\\frame.py:4117: SettingWithCopyWarning: \n",
      "A value is trying to be set on a copy of a slice from a DataFrame\n",
      "\n",
      "See the caveats in the documentation: http://pandas.pydata.org/pandas-docs/stable/user_guide/indexing.html#returning-a-view-versus-a-copy\n",
      "  errors=errors,\n"
     ]
    }
   ],
   "source": [
    "drop_list = []\n",
    "# removing metals using list of common metals.\n",
    "# aniline compound at beginnning contains (corrupted?) SMILES string full of tungsten.\n",
    "metals_removal_list = [\"4,4',4''-methanetriyltris(N,N-diethylaniline)\", 'Hg', 'Se', 'As', 'Zn', 'Si', 'Na', 'Al', 'Pb', 'Sn']\n",
    "for i in range(0, len(organics)):\n",
    "    for metal in metals_removal_list:\n",
    "        if metal in organics.SMILES[i]:\n",
    "            drop_list.append(organics.index[i])\n",
    "            #create drop list in loop, then remove all metal-containing species at once\n",
    "\n",
    "organics.drop(labels=drop_list, inplace=True, axis=0)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:20:00.509201Z",
     "start_time": "2019-12-03T16:20:00.492157Z"
    },
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
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       "\n",
       "    .dataframe tbody tr th {\n",
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       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>SMILES</th>\n",
       "      <th>Kh_mean</th>\n",
       "      <th>Kh_first</th>\n",
       "      <th>Varying_1</th>\n",
       "      <th>Varying_2</th>\n",
       "      <th>Varying_3</th>\n",
       "      <th>Varying_4</th>\n",
       "      <th>Varying_5</th>\n",
       "      <th>Varying_6</th>\n",
       "      <th>Varying_7</th>\n",
       "      <th>Varying_8</th>\n",
       "      <th>Varying_9</th>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "      <th></th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>methane</th>\n",
       "      <td>C</td>\n",
       "      <td>11.123407</td>\n",
       "      <td>11.176453</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>ethane</th>\n",
       "      <td>CC</td>\n",
       "      <td>10.798677</td>\n",
       "      <td>10.871072</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>propane</th>\n",
       "      <td>CCC</td>\n",
       "      <td>11.161176</td>\n",
       "      <td>11.107460</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>butane</th>\n",
       "      <td>CCCC</td>\n",
       "      <td>11.334422</td>\n",
       "      <td>11.330604</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2-methylpropane</th>\n",
       "      <td>CC(C)C</td>\n",
       "      <td>11.424626</td>\n",
       "      <td>11.607236</td>\n",
       "      <td>1</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                 SMILES    Kh_mean   Kh_first  Varying_1  Varying_2  \\\n",
       "0                                                                     \n",
       "methane               C  11.123407  11.176453          1          1   \n",
       "ethane               CC  10.798677  10.871072          1          1   \n",
       "propane             CCC  11.161176  11.107460          0          0   \n",
       "butane             CCCC  11.334422  11.330604          1          0   \n",
       "2-methylpropane  CC(C)C  11.424626  11.607236          1          1   \n",
       "\n",
       "                 Varying_3  Varying_4  Varying_5  Varying_6  Varying_7  \\\n",
       "0                                                                        \n",
       "methane                  0          0          0          0          0   \n",
       "ethane                   0          0          0          0          0   \n",
       "propane                  0          0          0          0          0   \n",
       "butane                   0          0          0          0          0   \n",
       "2-methylpropane          0          0          0          0          0   \n",
       "\n",
       "                 Varying_8  Varying_9  \n",
       "0                                      \n",
       "methane                  0          0  \n",
       "ethane                   0          0  \n",
       "propane                  0          0  \n",
       "butane                   0          0  \n",
       "2-methylpropane          0          0  "
      ]
     },
     "execution_count": 40,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "organics.head()"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Export organics as csv"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 41,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-03T16:20:31.901228Z",
     "start_time": "2019-12-03T16:20:31.851699Z"
    }
   },
   "outputs": [],
   "source": [
    "organics.to_csv('filtered_organics_kh.csv')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Get list of SMILES strings to pass into DRAGON"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 216,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-02T17:18:18.559512Z",
     "start_time": "2019-12-02T17:18:18.079395Z"
    }
   },
   "outputs": [],
   "source": [
    "file = open('smi_files/filtered_organics.smi', mode='w')\n",
    "for i in range(0, len(organics)):\n",
    "    string = organics.iloc[i].SMILES #get each smiles string\n",
    "    file.write(string) # write it to the file\n",
    "    file.write('\\n') #new line so DRAGON recieves each species seperately"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Get list of InChIs to grab solubility data from PubChem"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 42,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-04T10:28:01.255873Z",
     "start_time": "2019-12-04T10:28:01.232785Z"
    }
   },
   "outputs": [],
   "source": [
    "df = pd.read_csv('filtered_organics.csv')\n",
    "smiles_list = df.SMILES"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 45,
   "metadata": {
    "ExecuteTime": {
     "end_time": "2019-12-04T11:05:17.193924Z",
     "start_time": "2019-12-04T10:31:14.364077Z"
    }
   },
   "outputs": [
    {
     "data": {
      "application/vnd.jupyter.widget-view+json": {
       "model_id": "3f502abe46664ee3a8bfc02c9de93c0c",
       "version_major": 2,
       "version_minor": 0
      },
      "text/plain": [
       "IntProgress(value=0, description='SMILES->InChI', max=2196)"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\jtd1g16\\AppData\\Local\\Continuum\\anaconda3\\lib\\site-packages\\ipykernel_launcher.py:16: FutureWarning: The signature of `Series.to_csv` was aligned to that of `DataFrame.to_csv`, and argument 'header' will change its default value from False to True: please pass an explicit value to suppress this warning.\n",
      "  app.launch_new_instance()\n"
     ]
    }
   ],
   "source": [
    "max_count = len(smiles_list)\n",
    "f = IntProgress(min=0, max=max_count, description='SMILES->InChI') # instantiate the bar\n",
    "display(f) # display the bar\n",
    "count = 0\n",
    "    \n",
    "inchi_list = []\n",
    "for smiles in smiles_list:\n",
    "    inchi = cirpy.resolve(smiles, 'stdinchi')\n",
    "    f.value += 1 # signal to increment the progress bar\n",
    "    count += 1\n",
    "    inchi_list.append(inchi)\n",
    "    \n",
    "#convert to pd series\n",
    "#export to df\n",
    "#pass df to pubchem\n",
    "pd.Series(inchi_list).to_csv('inchi_list_filtered_organics.csv')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# To-do\n",
    "- (done)Change CAS to SMILES \n",
    "- (done)Create df for smiles, species and constant\n",
    "- (done)filter dataframe with the `to_keep` or `to_drop` index lists\n",
    "- (done-ish)pick which constants to use for each species\n",
    "- (done)Get list of SMILES strings to pass into DRAGON\n",
    "- (done)pass new set of species through DRAGON\n",
    "- (done)ML from there"
   ]
  }
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