diff --git a/create_database/create_database.py b/create_database/create_database.py index d12ca71..62af29a 100644 --- a/create_database/create_database.py +++ b/create_database/create_database.py @@ -1,6 +1,6 @@ from __future__ import print_function from math import copysign -import simplejson as json +import json import os import numpy as np import pandas as pd @@ -28,10 +28,6 @@ } -def sig_fig(x): - return [decimal.Decimal('{0:.5e}'.format(i)) for i in x] - - class DataCreator(object): data = None @@ -76,11 +72,10 @@ def load_nightingale(self): data = pd.read_csv(fullpath, engine='python', header=0, index_col=0, names=['value']) - nightingale_fits[ion] = {'fit': sig_fig(np.polyfit(data.index, - data['value'], - deg=8 - ) - ), + nightingale_fits[ion] = {'fit': np.polyfit(data.index, + data['value'], + deg=8 + ).tolist(), 'min': min(data.index), 'max': max(data.index) } diff --git a/ionize/Database/ion_data.json b/ionize/Database/ion_data.json index c630f18..b278ebb 100644 --- a/ionize/Database/ion_data.json +++ b/ionize/Database/ion_data.json @@ -2749,15 +2749,15 @@ "name": "calcium", "nightingale_data": { "fit": [ - 3.50692E-16, - -1.42216E-13, - 2.41805E-11, - -2.27320E-9, - 1.31990E-7, - -0.00000499139, - 0.000122136, - -0.00184782, - 0.279069 + 3.506921439093486e-16, + -1.4221599760226474e-13, + 2.4180539751755058e-11, + -2.2732017930183447e-09, + 1.3199040090728603e-07, + -4.9913872700444734e-06, + 0.0001221356463261506, + -0.0018478244910276728, + 0.2790691957373408 ], "max": 99.4969, "min": 0.1025 @@ -2896,15 +2896,15 @@ "name": "cesium", "nightingale_data": { "fit": [ - 2.81743E-13, - -5.27770E-11, - 4.05091E-9, - -1.66005E-7, - 0.00000398914, - -0.0000595867, - 0.000629427, - -0.00823300, - 0.788190 + 2.8174259162967467e-13, + -5.2777020717170596e-11, + 4.050905315791659e-09, + -1.660047891787586e-07, + 3.98913721557384e-06, + -5.958668815692347e-05, + 0.0006294269381155116, + -0.008233000307600673, + 0.7881903563056716 ], "max": 37.2251, "min": 0.1188 @@ -5251,15 +5251,15 @@ "name": "hydrochloric acid", "nightingale_data": { "fit": [ - -2.21371E-16, - 8.86367E-14, - -1.43330E-11, - 1.18880E-9, - -5.14538E-8, - 7.92380E-7, - 0.0000335302, - -0.00322098, - 0.738166 + -2.2137142181768285e-16, + 8.863674452978512e-14, + -1.4332969511033391e-11, + 1.1888046231183621e-09, + -5.1453760571080944e-08, + 7.92380139931067e-07, + 3.3530212792648715e-05, + -0.0032209848253278773, + 0.7381662817975966 ], "max": 99.0894, "min": 0.3302 @@ -5976,15 +5976,15 @@ "name": "lithium", "nightingale_data": { "fit": [ - 3.73525E-16, - -1.85806E-13, - 3.69517E-11, - -3.79737E-9, - 2.16089E-7, - -0.00000679588, - 0.000111845, - -0.000809198, - 0.345543 + 3.7352528214942754e-16, + -1.8580621260837556e-13, + 3.695166107478152e-11, + -3.797367302183178e-09, + 2.1608930337086762e-07, + -6.795877639034797e-06, + 0.00011184462943017364, + -0.0008091978446376813, + 0.3455432759293897 ], "max": 99.4497, "min": 0.0587 @@ -6353,15 +6353,15 @@ "name": "magnesium", "nightingale_data": { "fit": [ - 1.64128E-15, - -7.36712E-13, - 1.37595E-10, - -1.38165E-8, - 8.04531E-7, - -0.0000273270, - 0.000517379, - -0.00492228, - 0.254708 + 1.641276012707646e-15, + -7.367120279629901e-13, + 1.3759527201714994e-10, + -1.381654862760595e-08, + 8.045308172187151e-07, + -2.7327023210879356e-05, + 0.0005173785721390294, + -0.00492227673987166, + 0.2547077086683089 ], "max": 99.5135, "min": -0.2371 @@ -8242,15 +8242,15 @@ "name": "potassium", "nightingale_data": { "fit": [ - -2.16410E-16, - 8.80977E-14, - -1.35648E-11, - 9.30100E-10, - -1.92067E-8, - -0.00000101704, - 0.0000801792, - -0.00419138, - 0.728263 + -2.164099783484759e-16, + 8.809769713524869e-14, + -1.356484512046485e-11, + 9.30099523362874e-10, + -1.9206660212746574e-08, + -1.0170445806525706e-06, + 8.017916285651477e-05, + -0.004191381829994833, + 0.7282627896683684 ], "max": 99.1219, "min": 0.159 @@ -8534,15 +8534,15 @@ "name": "rubidium", "nightingale_data": { "fit": [ - 2.81743E-13, - -5.27770E-11, - 4.05091E-9, - -1.66005E-7, - 0.00000398914, - -0.0000595867, - 0.000629427, - -0.00823300, - 0.788190 + 2.8174259162967467e-13, + -5.2777020717170596e-11, + 4.050905315791659e-09, + -1.660047891787586e-07, + 3.98913721557384e-06, + -5.958668815692347e-05, + 0.0006294269381155116, + -0.008233000307600673, + 0.7881903563056716 ], "max": 37.2251, "min": 0.1188 @@ -8776,15 +8776,15 @@ "name": "silver", "nightingale_data": { "fit": [ - 3.95412E-16, - -1.68150E-13, - 2.85549E-11, - -2.44638E-9, - 1.09309E-7, - -0.00000242268, - 0.0000374609, - -0.00210677, - 0.595515 + 3.954115355039894e-16, + -1.6815002294026197e-13, + 2.8554880960938044e-11, + -2.4463766627053653e-09, + 1.0930852581737214e-07, + -2.422676519799443e-06, + 3.746090700866612e-05, + -0.002106769968123648, + 0.5955154793119255 ], "max": 99.3368, "min": 0.0699 @@ -8808,15 +8808,15 @@ "name": "sodium", "nightingale_data": { "fit": [ - 1.83618E-15, - -7.77196E-13, - 1.37267E-10, - -1.31349E-8, - 7.36590E-7, - -0.0000243848, - 0.000458983, - -0.00486881, - 0.474734 + 1.8361801574480907e-15, + -7.771957712596198e-13, + 1.3726743751090554e-10, + -1.3134854963866337e-08, + 7.365899027645715e-07, + -2.4384750239327784e-05, + 0.00045898277736910526, + -0.004868805581521699, + 0.47473431420671763 ], "max": 99.5713, "min": 0.1484 @@ -8972,15 +8972,15 @@ "name": "sulfuric acid", "nightingale_data": { "fit": [ - -1.98567E-15, - 8.02277E-13, - -1.32703E-10, - 1.15397E-8, - -5.60954E-7, - 0.0000147207, - -0.000169460, - 0.00000852562, - 0.273873 + -1.985670584116811e-15, + 8.022768724772736e-13, + -1.327032638822349e-10, + 1.1539689180735592e-08, + -5.609542837694738e-07, + 1.4720737445569812e-05, + -0.00016945986953276605, + 8.525616998218444e-06, + 0.2738733821548039 ], "max": 99.8824, "min": 0.14400000000000002 diff --git a/requirements.txt b/requirements.txt index f318b00..78d0212 100644 --- a/requirements.txt +++ b/requirements.txt @@ -4,4 +4,3 @@ numpy>=1.16.0 scipy>=1.4.0 Click>=7.0 biopython>=0.0.6 -simplejson>=3.17.2