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new import options, the external files can now be given a separate (n…
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…ot input file dependent) name if the setting: use_same_name=False
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@erdzeichen
erdzeichen committed Jun 22, 2022
1 parent 3f6cb9c commit bfad7b2
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Showing 6 changed files with 2,906 additions and 2,055 deletions.
4,424 changes: 2,492 additions & 1,932 deletions Workflow_tools/GUI/KiMoPack_FormBuilder.fbp
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235 changes: 196 additions & 39 deletions Workflow_tools/GUI/KiMoPack_GUI.py
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Original file line number Diff line number Diff line change
@@ -1,15 +1,15 @@
# -*- coding: utf-8 -*-

###########################################################################
## Python code generated with wxFormBuilder (version 3.10.1-0-g8feb16b3)
## http://www.wxformbuilder.org/
##
## PLEASE DO *NOT* EDIT THIS FILE!
###########################################################################

import wx
import wx.xrc
import wx.aui
import sys,tkinter,os
from tkinter import filedialog
import matplotlib,lmfit
import matplotlib.pyplot as plt
import numpy as np
import pandas as pd
import KiMoPack.plot_func as pf

###########################################################################
## Class frameMain
Expand All @@ -18,24 +18,55 @@
class frameMain ( wx.Frame ):

def __init__( self, parent ):
wx.Frame.__init__ ( self, parent, id = wx.ID_ANY, title = wx.EmptyString, pos = wx.DefaultPosition, size = wx.Size( 621,605 ), style = wx.DEFAULT_FRAME_STYLE|wx.TAB_TRAVERSAL )
self.path=os.getcwd()
wx.Frame.__init__ ( self, parent, id = wx.ID_ANY, title = wx.EmptyString, pos = wx.DefaultPosition, size = wx.Size( -1,-1 ), style = wx.DEFAULT_FRAME_STYLE|wx.TAB_TRAVERSAL )

self.SetSizeHints( wx.DefaultSize, wx.DefaultSize )
self.SetSizeHints( wx.Size( -1,550 ), wx.DefaultSize )

self.m_toolBar1 = self.CreateToolBar( wx.TB_HORIZONTAL, wx.ID_ANY )
self.save_settings = self.m_toolBar1.AddTool( wx.ID_ANY, u"tool", wx.Bitmap( u"D:\\Dropbox\\coding\\github\\KiMoPack\\Workflow_tools\\GUI\\embedded_files\\document-save.png", wx.BITMAP_TYPE_ANY ), wx.NullBitmap, wx.ITEM_NORMAL, wx.EmptyString, wx.EmptyString, None )
self.working_directory_label = wx.StaticText( self.m_toolBar1, wx.ID_ANY, u"current working directory", wx.DefaultPosition, wx.DefaultSize, 0 )
self.working_directory_label.Wrap( -1 )

self.m_toolBar1.AddControl( self.working_directory_label )
self.working_directory = wx.DirPickerCtrl( self.m_toolBar1, wx.ID_ANY, self.path, u"Select a folder", wx.DefaultPosition, wx.Size( 500,-1 ), wx.DIRP_DEFAULT_STYLE )
self.working_directory.SetMinSize( wx.Size( 300,-1 ) )

self.m_toolBar1.AddControl( self.working_directory )
self.m_toolBar1.AddSeparator()

self.Load_settings = self.m_toolBar1.AddTool( wx.ID_ANY, u"tool", wx.Bitmap( u"D:\\Dropbox\\coding\\github\\KiMoPack\\Workflow_tools\\GUI\\embedded_files\\document-open.png", wx.BITMAP_TYPE_ANY ), wx.NullBitmap, wx.ITEM_NORMAL, wx.EmptyString, wx.EmptyString, None )
self.m_toolBar1.AddSeparator()

self.load_setting_label = wx.StaticText( self.m_toolBar1, wx.ID_ANY, u"Load setting", wx.DefaultPosition, wx.DefaultSize, 0 )
self.load_setting_label.Wrap( -1 )

self.m_toolBar1.AddControl( self.load_setting_label )
self.Load_settings = self.m_toolBar1.AddTool( wx.ID_ANY, u"tool", wx.Bitmap( u"embedded_files/document-open.png", wx.BITMAP_TYPE_ANY ), wx.NullBitmap, wx.ITEM_NORMAL, wx.EmptyString, wx.EmptyString, None )

self.m_toolBar1.AddSeparator()

self.send_email_to_creator = self.m_toolBar1.AddTool( wx.ID_ANY, u"tool", wx.Bitmap( u"D:\\Dropbox\\coding\\github\\KiMoPack\\Workflow_tools\\GUI\\embedded_files\\emblem-mail.png", wx.BITMAP_TYPE_ANY ), wx.NullBitmap, wx.ITEM_NORMAL, u"dump settings in email and ask for help", wx.EmptyString, None )
self.m_toolBar1.AddSeparator()

self.save_setting_label = wx.StaticText( self.m_toolBar1, wx.ID_ANY, u"save settings", wx.DefaultPosition, wx.DefaultSize, 0 )
self.save_setting_label.Wrap( -1 )

self.m_toolBar1.AddControl( self.save_setting_label )
self.save_settings = self.m_toolBar1.AddTool( wx.ID_ANY, u"tool", wx.Bitmap( u"embedded_files/document-save.png", wx.BITMAP_TYPE_ANY ), wx.NullBitmap, wx.ITEM_NORMAL, u"save current settings", wx.EmptyString, None )

self.m_toolBar1.AddSeparator()

self.m_toolBar1.AddSeparator()

self.send_setting_label = wx.StaticText( self.m_toolBar1, wx.ID_ANY, u"send settings", wx.DefaultPosition, wx.DefaultSize, 0 )
self.send_setting_label.Wrap( -1 )

self.m_toolBar1.AddControl( self.send_setting_label )
self.send_email_to_creator = self.m_toolBar1.AddTool( wx.ID_ANY, u"tool", wx.Bitmap( u"embedded_files/emblem-mail.png", wx.BITMAP_TYPE_ANY ), wx.NullBitmap, wx.ITEM_NORMAL, u"dump settings in email and ask for help", wx.EmptyString, None )

self.m_toolBar1.Realize()

frameMain_sizer = wx.BoxSizer( wx.VERTICAL )
frameMain_sizer = wx.BoxSizer( wx.HORIZONTAL )

wSizer1 = wx.WrapSizer( wx.HORIZONTAL, wx.WRAPSIZER_DEFAULT_FLAGS )

self.frameMainNotebook = wx.aui.AuiNotebook( self, wx.ID_ANY, wx.DefaultPosition, wx.DefaultSize, wx.aui.AUI_NB_DEFAULT_STYLE )
self.data_loading_panel = wx.Panel( self.frameMainNotebook, wx.ID_ANY, wx.DefaultPosition, wx.DefaultSize, wx.TAB_TRAVERSAL )
Expand All @@ -55,23 +86,23 @@ def __init__( self, parent ):

gbSizer2.Add( self.Load_recent, wx.GBPosition( 1, 0 ), wx.GBSpan( 1, 1 ), wx.ALL, 5 )

self.load_filename = wx.Button( self.data_loading_panel, wx.ID_ANY, u"Load file with name", wx.DefaultPosition, wx.DefaultSize, 0 )
self.load_filename.SetBackgroundColour( wx.SystemSettings.GetColour( wx.SYS_COLOUR_HIGHLIGHT ) )
self.load_filename.SetMinSize( wx.Size( -1,40 ) )
self.load_filename1 = wx.Button( self.data_loading_panel, wx.ID_ANY, u"Load file with name", wx.DefaultPosition, wx.DefaultSize, 0 )
self.load_filename1.SetBackgroundColour( wx.SystemSettings.GetColour( wx.SYS_COLOUR_HIGHLIGHT ) )
self.load_filename1.SetMinSize( wx.Size( -1,40 ) )

gbSizer2.Add( self.load_filename, wx.GBPosition( 2, 0 ), wx.GBSpan( 1, 1 ), wx.ALL, 5 )
gbSizer2.Add( self.load_filename1, wx.GBPosition( 2, 0 ), wx.GBSpan( 1, 1 ), wx.ALL, 5 )

self.m_textCtrl7 = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, wx.EmptyString, wx.DefaultPosition, wx.Size( 200,-1 ), 0 )
gbSizer2.Add( self.m_textCtrl7, wx.GBPosition( 3, 0 ), wx.GBSpan( 1, 1 ), wx.ALL, 5 )
self.load_filename = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, wx.EmptyString, wx.DefaultPosition, wx.Size( 200,-1 ), 0 )
gbSizer2.Add( self.load_filename, wx.GBPosition( 3, 0 ), wx.GBSpan( 1, 1 ), wx.ALL, 5 )

bSizer2 = wx.BoxSizer( wx.VERTICAL )

type_SIAChoices = [ u"SIA", u"hdf5", u"custom" ]
self.type_SIA = wx.RadioBox( self.data_loading_panel, wx.ID_ANY, u"Filetype", wx.DefaultPosition, wx.DefaultSize, type_SIAChoices, 1, wx.RA_SPECIFY_COLS )
self.type_SIA.SetSelection( 1 )
self.type_SIA.SetSelection( 0 )
bSizer2.Add( self.type_SIA, 0, wx.ALL, 5 )

self.custom_filetype = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, wx.EmptyString, wx.DefaultPosition, wx.DefaultSize, 0 )
self.custom_filetype = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"SIA", wx.DefaultPosition, wx.DefaultSize, 0 )
bSizer2.Add( self.custom_filetype, 0, wx.ALL, 5 )


Expand All @@ -82,8 +113,8 @@ def __init__( self, parent ):

gbSizer2.Add( self.path_label, wx.GBPosition( 7, 0 ), wx.GBSpan( 1, 1 ), wx.ALL, 5 )

self.m_textCtrl9 = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"None", wx.DefaultPosition, wx.Size( 200,-1 ), 0 )
gbSizer2.Add( self.m_textCtrl9, wx.GBPosition( 8, 0 ), wx.GBSpan( 1, 1 ), wx.ALL, 5 )
self.load_path = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"None", wx.DefaultPosition, wx.Size( 200,-1 ), 0 )
gbSizer2.Add( self.load_path, wx.GBPosition( 8, 0 ), wx.GBSpan( 1, 1 ), wx.ALL, 5 )

loading_option_sizer = wx.GridSizer( 11, 2, 0, 0 )

Expand All @@ -92,7 +123,7 @@ def __init__( self, parent ):

loading_option_sizer.Add( self.Data_separator_label, 0, wx.ALL, 5 )

self.data_separator = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"'\\t'", wx.DefaultPosition, wx.DefaultSize, 0 )
self.data_separator = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"\\t", wx.DefaultPosition, wx.DefaultSize, 0 )
self.data_separator.SetMaxSize( wx.Size( 30,-1 ) )

loading_option_sizer.Add( self.data_separator, 0, wx.ALL, 5 )
Expand All @@ -102,7 +133,7 @@ def __init__( self, parent ):

loading_option_sizer.Add( self.data_decimal_separator_label, 0, wx.ALL, 5 )

self.data_decimal_separator = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"','", wx.DefaultPosition, wx.DefaultSize, 0 )
self.data_decimal_separator = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u",", wx.DefaultPosition, wx.DefaultSize, 0 )
self.data_decimal_separator.SetMaxSize( wx.Size( 30,-1 ) )

loading_option_sizer.Add( self.data_decimal_separator, 0, wx.ALL, 5 )
Expand All @@ -128,15 +159,17 @@ def __init__( self, parent ):

loading_option_sizer.Add( self.sort_indexes_label, 0, wx.ALL, 5 )

self.m_checkBox3 = wx.CheckBox( self.data_loading_panel, wx.ID_ANY, wx.EmptyString, wx.DefaultPosition, wx.DefaultSize, 0 )
loading_option_sizer.Add( self.m_checkBox3, 0, wx.ALL, 5 )
self.resort_indexes_check = wx.CheckBox( self.data_loading_panel, wx.ID_ANY, wx.EmptyString, wx.DefaultPosition, wx.DefaultSize, 0 )
loading_option_sizer.Add( self.resort_indexes_check, 0, wx.ALL, 5 )

self.divide_times_label = wx.StaticText( self.data_loading_panel, wx.ID_ANY, u"divide times by", wx.DefaultPosition, wx.DefaultSize, 0 )
self.divide_times_label.Wrap( -1 )

loading_option_sizer.Add( self.divide_times_label, 0, wx.ALL, 5 )

self.shift_times_by = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"False", wx.DefaultPosition, wx.Size( 50,-1 ), 0 )
self.shift_times_by = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"None", wx.DefaultPosition, wx.Size( 50,-1 ), 0 )
self.shift_times_by.SetMinSize( wx.Size( 110,-1 ) )

loading_option_sizer.Add( self.shift_times_by, 0, wx.ALL, 5 )

self.shift_times_label = wx.StaticText( self.data_loading_panel, wx.ID_ANY, u"shift times by", wx.DefaultPosition, wx.DefaultSize, 0 )
Expand All @@ -145,15 +178,19 @@ def __init__( self, parent ):
loading_option_sizer.Add( self.shift_times_label, 0, wx.ALL, 5 )

self.shift_times_value = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"None", wx.DefaultPosition, wx.Size( 60,-1 ), 0 )
self.shift_times_value.SetMinSize( wx.Size( 110,-1 ) )

loading_option_sizer.Add( self.shift_times_value, 0, wx.ALL, 5 )

self.data_type_label = wx.StaticText( self.data_loading_panel, wx.ID_ANY, u"intensity axis [Delta OD]", wx.DefaultPosition, wx.Size( -1,-1 ), 0 )
self.data_type_label.Wrap( -1 )

loading_option_sizer.Add( self.data_type_label, 0, wx.ALL, 5 )

self.m_textCtrl5 = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"None", wx.DefaultPosition, wx.Size( 70,-1 ), 0 )
loading_option_sizer.Add( self.m_textCtrl5, 0, wx.ALL, 5 )
self.intensity_axis_values = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"None", wx.DefaultPosition, wx.Size( -1,-1 ), 0 )
self.intensity_axis_values.SetMinSize( wx.Size( 110,-1 ) )

loading_option_sizer.Add( self.intensity_axis_values, 0, wx.ALL, 5 )

self.time_units_label = wx.StaticText( self.data_loading_panel, wx.ID_ANY, u"time units [ps] default", wx.DefaultPosition, wx.DefaultSize, 0 )
self.time_units_label.Wrap( -1 )
Expand All @@ -176,8 +213,8 @@ def __init__( self, parent ):

loading_option_sizer.Add( self.external_wave_file_label, 0, wx.ALL, 5 )

self.m_textCtrl11 = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"None", wx.DefaultPosition, wx.DefaultSize, 0 )
loading_option_sizer.Add( self.m_textCtrl11, 0, wx.ALL, 5 )
self.external_wavelength_file = wx.TextCtrl( self.data_loading_panel, wx.ID_ANY, u"None", wx.DefaultPosition, wx.DefaultSize, 0 )
loading_option_sizer.Add( self.external_wavelength_file, 0, wx.ALL, 5 )


gbSizer2.Add( loading_option_sizer, wx.GBPosition( 0, 1 ), wx.GBSpan( 8, 2 ), wx.EXPAND, 5 )
Expand All @@ -196,40 +233,145 @@ def __init__( self, parent ):
self.frameMainNotebook.AddPage( self.RAW_plotting_panel, u"RAW plotting", False, wx.NullBitmap )
self.data_fitting_panel = wx.Panel( self.frameMainNotebook, wx.ID_ANY, wx.DefaultPosition, wx.DefaultSize, wx.TAB_TRAVERSAL )
self.frameMainNotebook.AddPage( self.data_fitting_panel, u"Fitting", False, wx.NullBitmap )
self.Single_scan_panel = wx.Panel( self.frameMainNotebook, wx.ID_ANY, wx.DefaultPosition, wx.DefaultSize, wx.TAB_TRAVERSAL )
self.frameMainNotebook.AddPage( self.Single_scan_panel, u"Single Scan handling", False, wx.NullBitmap )

wSizer1.Add( self.frameMainNotebook, 1, wx.EXPAND |wx.ALL, 5 )

bSizer3 = wx.BoxSizer( wx.HORIZONTAL )

self.Logo = wx.StaticBitmap( self, wx.ID_ANY, wx.Bitmap( u"embedded_files/KiMoPack_logo.png", wx.BITMAP_TYPE_ANY ), wx.DefaultPosition, wx.DefaultSize, 0 )
bSizer3.Add( self.Logo, 0, wx.ALL, 5 )

self.copyright = wx.StaticText( self, wx.ID_ANY, u"copyright by Jens Uhlig 2022 \n Jens.uhlig@chemphys.lu.se \n www.chemphys.lu.se/research/~ \n /projects/kimopack/", wx.DefaultPosition, wx.DefaultSize, 0 )
self.copyright.Wrap( -1 )

bSizer3.Add( self.copyright, 0, wx.ALL, 5 )

frameMain_sizer.Add( self.frameMainNotebook, 1, wx.EXPAND |wx.ALL, 5 )
self.QR = wx.StaticBitmap( self, wx.ID_ANY, wx.Bitmap( u"embedded_files/qr-code50.png", wx.BITMAP_TYPE_ANY ), wx.DefaultPosition, wx.Size( -1,-1 ), 0 )
self.QR.Hide()
self.QR.SetMaxSize( wx.Size( 40,40 ) )

bSizer3.Add( self.QR, 0, wx.ALL, 5 )


wSizer1.Add( bSizer3, 1, wx.EXPAND, 5 )


frameMain_sizer.Add( wSizer1, 1, wx.EXPAND, 5 )

self.log_screen = wx.TextCtrl( self, wx.ID_ANY, wx.EmptyString, wx.DefaultPosition, wx.DefaultSize, wx.HSCROLL|wx.TE_MULTILINE|wx.TE_READONLY|wx.HSCROLL|wx.VSCROLL )
self.log_screen.SetMinSize( wx.Size( 500,550 ) )

frameMain_sizer.Add( self.log_screen, 0, wx.ALL, 5 )


self.SetSizer( frameMain_sizer )
self.Layout()
frameMain_sizer.Fit( self )

self.Centre( wx.BOTH )

# Connect Events
self.Bind( wx.EVT_TOOL, self.save_settingsOnToolClicked, id = self.save_settings.GetId() )
self.working_directory.Bind( wx.EVT_DIRPICKER_CHANGED, self.working_directoryOnDirChanged )
self.Bind( wx.EVT_TOOL, self.Load_settingsOnToolClicked, id = self.Load_settings.GetId() )
self.Bind( wx.EVT_TOOL, self.save_settingsOnToolClicked, id = self.save_settings.GetId() )
self.Bind( wx.EVT_TOOL, self.send_email_to_creatorOnToolClicked, id = self.send_email_to_creator.GetId() )
self.open_single_file_gui_button.Bind( wx.EVT_BUTTON, self.open_single_file_gui_buttonOnButtonClick )
self.Load_recent.Bind( wx.EVT_BUTTON, self.Load_recentOnButtonClick )
self.load_filename.Bind( wx.EVT_BUTTON, self.load_filenameOnButtonClick )
self.load_filename1.Bind( wx.EVT_BUTTON, self.load_filenameOnButtonClick )
self.type_SIA.Bind( wx.EVT_RADIOBOX, self.type_SIAOnRadioBox )

###############################Automated tools################################################################

redir = RedirectText(self.log_screen)
sys.stdout = redir
self.load_setting_names={ 'text':['data_decimal_separator','data_separator','shift_times_by','shift_times_value','intensity_axis_values',
'time_units','external_time_file','external_wavelength_file','load_filename','custom_filetype','load_path'],
'check':['Index_is_energy_check','transpose_checkbox','resort_indexes_check'],
'radio':['type_SIA'],
'array':[]}


def __del__( self ):
pass


####################################### actions #############################################################
# Virtual event handlers, override them in your derived class
def save_settingsOnToolClicked( self, event ):
def working_directoryOnDirChanged( self, event ):
event.Skip()


def Read_setting_file(self, filename=None, path=None):
if filename is None: filename = 'current.settings'
full_path=pf.check_folder(path=path, current_path = self.path , filename = filename)
setting_df=pd.read_csv(full_path,index_col=0)
self.write_values(setting_df)


def save_settingsOnToolClicked( self, event , filename = None ,path = None):
if filename is None: filename = 'current.settings'
full_path=pf.check_folder(path = path, current_path = self.path , filename = filename)
setting_df=self.read_values()
try:
setting_df.to_csv(full_path)
except:
print('save settings failed')

def stv(self,value):
'''method that converts a string to a value'''
if value == 'None':
value=None
else:
try:
value=eval(value)
except:
print('conversion of %s failed'%value)
return value

def write_values(self, setting_df):
for key in self.load_setting_names['text']:
entry=setting_df.loc[stv(key),'value']
self.__dict__[key].Replace(entry)
for key in self.load_setting_names['check']:
pass
for key in self.load_setting_names['radio']:
pass

def read_values(self):
setting_df=[]
names_df=[]
for key in self.load_setting_names['text']:
entry=self.__dict__[key].GetLineText(0)
setting_df.append(entry)
names_df.append(key)
for key in self.load_setting_names['check']:
setting_df.append(self.__dict__[key].GetValue())
names_df.append(key)
for key in self.load_setting_names['radio']:
setting_df.append(self.__dict__[key].GetString(self.__dict__[key].GetSelection()))
names_df.append(key)
setting_df=pd.DataFrame(setting_df,index= names_df)
setting_df.columns=['value']
return setting_df
#Replace()
#GetLineText(0), SetValue()
#GetValue()/SetValue()
#GetSelection()/SetSelection(n)
#GetString(GetSelection())
#n=FindString(string)
#event.Skip()


def Load_settingsOnToolClicked( self, event ):
self.read_values()
event.Skip()

def send_email_to_creatorOnToolClicked( self, event ):
event.Skip()

def open_single_file_gui_buttonOnButtonClick( self, event ):
event.Skip()
filename = wx.FilePickerCtrl( self, wx.ID_ANY, wx.EmptyString, u"Select a file", u"*.*", wx.DefaultPosition, wx.DefaultSize, wx.FLP_DEFAULT_STYLE|wx.FLP_OPEN ).GetPath()
#filename = wx.FilePickerCtrl( self, wx.ID_ANY, wx.EmptyString, u"Select a file", u"*.*", wx.DefaultPosition, wx.DefaultSize, wx.FLP_DEFAULT_STYLE|wx.FLP_SAVE )

def Load_recentOnButtonClick( self, event ):
event.Skip()
Expand All @@ -239,8 +381,22 @@ def load_filenameOnButtonClick( self, event ):

def type_SIAOnRadioBox( self, event ):
event.Skip()






############################General calling ##########################################################



class RedirectText(object):
def __init__(self,aWxTextCtrl):
self.out = aWxTextCtrl

def write(self,string):
self.out.WriteText(string)



Expand All @@ -256,4 +412,5 @@ def Oninit(self):
app = wx.App(True)
frame = frameMain(None)
frame.Show(True)

app.MainLoop()

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