1 | # -*- coding: utf-8 -*- |
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2 | #GSASIIgrid - data display routines |
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3 | ########### SVN repository information ################### |
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4 | # $Date: 2013-05-20 16:06:42 +0000 (Mon, 20 May 2013) $ |
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5 | # $Author: vondreele $ |
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6 | # $Revision: 927 $ |
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7 | # $URL: trunk/GSASIIgrid.py $ |
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8 | # $Id: GSASIIgrid.py 927 2013-05-20 16:06:42Z vondreele $ |
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9 | ########### SVN repository information ################### |
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10 | ''' |
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11 | *GSASIIgrid: Basic GUI routines* |
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12 | -------------------------------- |
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13 | |
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14 | |
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15 | ''' |
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16 | import wx |
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17 | import wx.grid as wg |
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18 | import wx.wizard as wz |
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19 | import wx.aui |
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20 | import time |
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21 | import cPickle |
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22 | import sys |
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23 | import numpy as np |
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24 | import numpy.ma as ma |
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25 | import os.path |
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26 | import wx.html # could postpone this for quicker startup |
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27 | import webbrowser # could postpone this for quicker startup |
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28 | import GSASIIpath |
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29 | GSASIIpath.SetVersionNumber("$Revision: 927 $") |
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30 | import GSASIImath as G2mth |
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31 | import GSASIIIO as G2IO |
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32 | import GSASIIlattice as G2lat |
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33 | import GSASIIplot as G2plt |
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34 | import GSASIIpwdGUI as G2pdG |
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35 | import GSASIIimgGUI as G2imG |
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36 | import GSASIIphsGUI as G2phG |
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37 | import GSASIIspc as G2spc |
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38 | import GSASIImapvars as G2mv |
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39 | import GSASIIconstrGUI as G2cnstG |
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40 | import GSASIIrestrGUI as G2restG |
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41 | |
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42 | # trig functions in degrees |
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43 | sind = lambda x: np.sin(x*np.pi/180.) |
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44 | tand = lambda x: np.tan(x*np.pi/180.) |
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45 | cosd = lambda x: np.cos(x*np.pi/180.) |
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46 | |
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47 | # globals we will use later |
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48 | __version__ = None # gets overridden in GSASII.py |
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49 | path2GSAS2 = os.path.dirname(os.path.realpath(__file__)) # save location of this file |
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50 | helpLocDict = {} |
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51 | htmlPanel = None |
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52 | htmlFrame = None |
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53 | helpMode = 'browser' |
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54 | #if sys.platform.lower().startswith('win'): helpMode = 'internal' # need a global control to set this |
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55 | |
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56 | htmlFirstUse = True |
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57 | |
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58 | [ wxID_FOURCALC, wxID_FOURSEARCH, wxID_FOURCLEAR, wxID_PEAKSMOVE, wxID_PEAKSCLEAR, |
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59 | wxID_CHARGEFLIP, wxID_PEAKSUNIQUE, wxID_PEAKSDELETE, wxID_PEAKSDA, |
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60 | wxID_PEAKSDISTVP, wxID_PEAKSVIEWPT, wxID_FINDEQVPEAKS,wxID_SHOWBONDS, |
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61 | ] = [wx.NewId() for item in range(13)] |
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62 | |
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63 | [ wxID_PWDRADD, wxID_HKLFADD,wxID_PWDANALYSIS,wxID_DATADELETE, |
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64 | ] = [wx.NewId() for item in range(4)] |
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65 | |
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66 | [ wxID_ATOMSEDITADD, wxID_ATOMSEDITINSERT, wxID_ATOMSEDITDELETE, wxID_ATOMSREFINE, |
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67 | wxID_ATOMSMODIFY, wxID_ATOMSTRANSFORM, wxID_ATOMSVIEWADD, wxID_ATOMVIEWINSERT, |
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68 | wxID_RELOADDRAWATOMS,wxID_ATOMSDISAGL,wxID_ATOMMOVE,wxID_RBAPPEND, |
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69 | wxID_ASSIGNATMS2RB |
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70 | ] = [wx.NewId() for item in range(13)] |
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71 | |
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72 | [ wxID_DRAWATOMSTYLE, wxID_DRAWATOMLABEL, wxID_DRAWATOMCOLOR, wxID_DRAWATOMRESETCOLOR, |
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73 | wxID_DRAWVIEWPOINT, wxID_DRAWTRANSFORM, wxID_DRAWDELETE, wxID_DRAWFILLCELL, |
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74 | wxID_DRAWADDEQUIV, wxID_DRAWFILLCOORD, wxID_DRAWDISAGLTOR, wxID_DRAWPLANE, |
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75 | wxID_DRAWDISTVP, |
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76 | ] = [wx.NewId() for item in range(13)] |
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77 | |
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78 | [ wxID_DRAWRESTRBOND, wxID_DRAWRESTRANGLE, wxID_DRAWRESTRPLANE, wxID_DRAWRESTRCHIRAL, |
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79 | ] = [wx.NewId() for item in range(4)] |
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80 | |
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81 | [ wxID_CLEARTEXTURE,wxID_REFINETEXTURE, |
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82 | ] = [wx.NewId() for item in range(2)] |
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83 | |
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84 | [ wxID_PAWLEYLOAD, wxID_PAWLEYDELETE, wxID_PAWLEYESTIMATE, |
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85 | wxID_PAWLEYUPDATE, |
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86 | ] = [wx.NewId() for item in range(4)] |
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87 | |
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88 | [ wxID_IMCALIBRATE,wxID_IMRECALIBRATE,wxID_IMINTEGRATE, wxID_IMCLEARCALIB, |
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89 | wxID_IMCOPYCONTROLS, wxID_INTEGRATEALL, wxID_IMSAVECONTROLS, wxID_IMLOADCONTROLS, |
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90 | ] = [wx.NewId() for item in range(8)] |
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91 | |
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92 | [ wxID_MASKCOPY, wxID_MASKSAVE, wxID_MASKLOAD, |
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93 | ] = [wx.NewId() for item in range(3)] |
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94 | |
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95 | [ wxID_STRSTACOPY, wxID_STRSTAFIT, wxID_STRSTASAVE, wxID_STRSTALOAD,wxID_APPENDDZERO, |
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96 | ] = [wx.NewId() for item in range(5)] |
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97 | |
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98 | [ wxID_BACKCOPY,wxID_LIMITCOPY,wxID_SAMPLECOPY, wxID_BACKFLAGCOPY, wxID_SAMPLEFLAGCOPY, |
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99 | wxID_SAMPLESAVE, wxID_SAMPLELOAD, |
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100 | ] = [wx.NewId() for item in range(7)] |
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101 | |
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102 | [ wxID_INSTPRMRESET,wxID_CHANGEWAVETYPE,wxID_INSTCOPY, wxID_INSTFLAGCOPY, wxID_INSTLOAD, |
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103 | wxID_INSTSAVE, |
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104 | ] = [wx.NewId() for item in range(6)] |
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105 | |
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106 | [ wxID_UNDO,wxID_LSQPEAKFIT,wxID_LSQONECYCLE,wxID_RESETSIGGAM,wxID_CLEARPEAKS,wxID_AUTOSEARCH, |
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107 | ] = [wx.NewId() for item in range(6)] |
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108 | |
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109 | [ wxID_INDXRELOAD, wxID_INDEXPEAKS, wxID_REFINECELL, wxID_COPYCELL, wxID_MAKENEWPHASE, |
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110 | ] = [wx.NewId() for item in range(5)] |
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111 | |
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112 | [ wxID_CONSTRAINTADD,wxID_EQUIVADD,wxID_HOLDADD,wxID_FUNCTADD, |
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113 | ] = [wx.NewId() for item in range(4)] |
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114 | |
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115 | [ wxID_RESTRAINTADD, wxID_RESTSELPHASE,wxID_RESTDELETE, wxID_RESRCHANGEVAL, |
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116 | wxID_RESTCHANGEESD,wxID_AARESTRAINTADD,wxID_AARESTRAINTPLOT, |
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117 | ] = [wx.NewId() for item in range(7)] |
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118 | |
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119 | [ wxID_RIGIDBODYADD,wxID_DRAWDEFINERB,wxID_RIGIDBODYIMPORT,wxID_RESIDUETORSSEQ, |
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120 | wxID_AUTOFINDRESRB,wxID_GLOBALRESREFINE,wxID_RBREMOVEALL,wxID_COPYRBPARMS, |
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121 | ] = [wx.NewId() for item in range(8)] |
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122 | |
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123 | [ wxID_SAVESEQSEL, |
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124 | ] = [wx.NewId() for item in range(1)] |
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125 | |
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126 | [ wxID_SELECTPHASE, |
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127 | ] = [wx.NewId() for item in range(1)] |
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128 | |
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129 | [ wxID_PDFCOPYCONTROLS, wxID_PDFSAVECONTROLS, wxID_PDFLOADCONTROLS, |
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130 | wxID_PDFCOMPUTE, wxID_PDFCOMPUTEALL, wxID_PDFADDELEMENT, wxID_PDFDELELEMENT, |
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131 | ] = [wx.NewId() for item in range(7)] |
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132 | |
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133 | VERY_LIGHT_GREY = wx.Colour(235,235,235) |
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134 | |
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135 | ################################################################################ |
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136 | #### GSAS-II class definitions |
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137 | ################################################################################ |
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138 | |
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139 | class SymOpDialog(wx.Dialog): |
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140 | '''Class to select a symmetry operator |
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141 | ''' |
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142 | def __init__(self,parent,SGData,New=True,ForceUnit=False): |
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143 | wx.Dialog.__init__(self,parent,-1,'Select symmetry operator', |
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144 | pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE) |
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145 | panel = wx.Panel(self) |
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146 | self.SGData = SGData |
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147 | self.New = New |
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148 | self.Force = ForceUnit |
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149 | self.OpSelected = [0,0,0,[0,0,0],False,False] |
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150 | mainSizer = wx.BoxSizer(wx.VERTICAL) |
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151 | if ForceUnit: |
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152 | choice = ['No','Yes'] |
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153 | self.force = wx.RadioBox(panel,-1,'Force to unit cell?',choices=choice) |
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154 | self.force.Bind(wx.EVT_RADIOBOX, self.OnOpSelect) |
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155 | mainSizer.Add(self.force,0,wx.ALIGN_CENTER_VERTICAL) |
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156 | mainSizer.Add((5,5),0) |
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157 | if SGData['SGInv']: |
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158 | choice = ['No','Yes'] |
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159 | self.inv = wx.RadioBox(panel,-1,'Choose inversion?',choices=choice) |
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160 | self.inv.Bind(wx.EVT_RADIOBOX, self.OnOpSelect) |
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161 | mainSizer.Add(self.inv,0,wx.ALIGN_CENTER_VERTICAL) |
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162 | mainSizer.Add((5,5),0) |
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163 | if SGData['SGLatt'] != 'P': |
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164 | LattOp = G2spc.Latt2text(SGData['SGLatt']).split(';') |
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165 | self.latt = wx.RadioBox(panel,-1,'Choose cell centering?',choices=LattOp) |
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166 | self.latt.Bind(wx.EVT_RADIOBOX, self.OnOpSelect) |
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167 | mainSizer.Add(self.latt,0,wx.ALIGN_CENTER_VERTICAL) |
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168 | mainSizer.Add((5,5),0) |
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169 | if SGData['SGLaue'] in ['-1','2/m','mmm','4/m','4/mmm']: |
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170 | Ncol = 2 |
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171 | else: |
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172 | Ncol = 3 |
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173 | OpList = [] |
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174 | for M,T in SGData['SGOps']: |
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175 | OpList.append(G2spc.MT2text(M,T)) |
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176 | self.oprs = wx.RadioBox(panel,-1,'Choose space group operator?',choices=OpList, |
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177 | majorDimension=Ncol) |
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178 | self.oprs.Bind(wx.EVT_RADIOBOX, self.OnOpSelect) |
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179 | mainSizer.Add(self.oprs,0,wx.ALIGN_CENTER_VERTICAL) |
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180 | mainSizer.Add((5,5),0) |
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181 | mainSizer.Add(wx.StaticText(panel,-1," Choose unit cell?"),0,wx.ALIGN_CENTER_VERTICAL) |
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182 | mainSizer.Add((5,5),0) |
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183 | cellSizer = wx.BoxSizer(wx.HORIZONTAL) |
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184 | cellSizer.Add((5,0),0) |
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185 | cellName = ['X','Y','Z'] |
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186 | self.cell = [] |
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187 | for i in range(3): |
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188 | self.cell.append(wx.SpinCtrl(panel,-1,cellName[i],size=wx.Size(50,20))) |
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189 | self.cell[-1].SetRange(-3,3) |
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190 | self.cell[-1].SetValue(0) |
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191 | self.cell[-1].Bind(wx.EVT_SPINCTRL, self.OnOpSelect) |
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192 | cellSizer.Add(self.cell[-1],0,wx.ALIGN_CENTER_VERTICAL) |
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193 | mainSizer.Add(cellSizer,0,) |
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194 | if self.New: |
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195 | choice = ['No','Yes'] |
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196 | self.new = wx.RadioBox(panel,-1,'Generate new positions?',choices=choice) |
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197 | self.new.Bind(wx.EVT_RADIOBOX, self.OnOpSelect) |
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198 | mainSizer.Add(self.new,0,wx.ALIGN_CENTER_VERTICAL) |
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199 | mainSizer.Add((5,5),0) |
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200 | |
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201 | OkBtn = wx.Button(panel,-1,"Ok") |
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202 | OkBtn.Bind(wx.EVT_BUTTON, self.OnOk) |
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203 | cancelBtn = wx.Button(panel,-1,"Cancel") |
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204 | cancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel) |
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205 | btnSizer = wx.BoxSizer(wx.HORIZONTAL) |
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206 | btnSizer.Add((20,20),1) |
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207 | btnSizer.Add(OkBtn) |
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208 | btnSizer.Add((20,20),1) |
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209 | btnSizer.Add(cancelBtn) |
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210 | btnSizer.Add((20,20),1) |
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211 | |
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212 | mainSizer.Add(btnSizer,0,wx.EXPAND|wx.BOTTOM|wx.TOP, 10) |
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213 | panel.SetSizer(mainSizer) |
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214 | panel.Fit() |
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215 | self.Fit() |
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216 | |
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217 | def OnOpSelect(self,event): |
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218 | if self.SGData['SGInv']: |
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219 | self.OpSelected[0] = self.inv.GetSelection() |
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220 | if self.SGData['SGLatt'] != 'P': |
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221 | self.OpSelected[1] = self.latt.GetSelection() |
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222 | self.OpSelected[2] = self.oprs.GetSelection() |
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223 | for i in range(3): |
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224 | self.OpSelected[3][i] = float(self.cell[i].GetValue()) |
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225 | if self.New: |
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226 | self.OpSelected[4] = self.new.GetSelection() |
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227 | if self.Force: |
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228 | self.OpSelected[5] = self.force.GetSelection() |
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229 | |
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230 | def GetSelection(self): |
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231 | return self.OpSelected |
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232 | |
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233 | def OnOk(self,event): |
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234 | parent = self.GetParent() |
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235 | parent.Raise() |
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236 | self.EndModal(wx.ID_OK) |
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237 | |
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238 | def OnCancel(self,event): |
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239 | parent = self.GetParent() |
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240 | parent.Raise() |
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241 | self.EndModal(wx.ID_CANCEL) |
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242 | |
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243 | class DisAglDialog(wx.Dialog): |
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244 | '''Distance Angle Controls dialog |
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245 | ''' |
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246 | def __default__(self,data,default): |
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247 | if data: |
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248 | self.data = data |
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249 | else: |
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250 | self.data = {} |
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251 | self.data['Name'] = default['Name'] |
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252 | self.data['Factors'] = [0.85,0.85] |
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253 | self.data['AtomTypes'] = default['AtomTypes'] |
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254 | self.data['BondRadii'] = default['BondRadii'] |
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255 | self.data['AngleRadii'] = default['AngleRadii'] |
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256 | |
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257 | def __init__(self,parent,data,default): |
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258 | wx.Dialog.__init__(self,parent,-1,'Distance Angle Controls', |
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259 | pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE) |
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260 | self.default = default |
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261 | self.panel = wx.Panel(self) #just a dummy - gets destroyed in Draw! |
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262 | self.__default__(data,self.default) |
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263 | self.Draw(self.data) |
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264 | |
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265 | def Draw(self,data): |
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266 | self.panel.Destroy() |
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267 | self.panel = wx.Panel(self) |
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268 | mainSizer = wx.BoxSizer(wx.VERTICAL) |
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269 | mainSizer.Add(wx.StaticText(self.panel,-1,'Controls for phase '+data['Name']), |
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270 | 0,wx.ALIGN_CENTER_VERTICAL|wx.LEFT,10) |
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271 | mainSizer.Add((10,10),1) |
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272 | |
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273 | radiiSizer = wx.FlexGridSizer(2,3,5,5) |
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274 | radiiSizer.Add(wx.StaticText(self.panel,-1,' Type'),0,wx.ALIGN_CENTER_VERTICAL) |
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275 | radiiSizer.Add(wx.StaticText(self.panel,-1,'Bond radii'),0,wx.ALIGN_CENTER_VERTICAL) |
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276 | radiiSizer.Add(wx.StaticText(self.panel,-1,'Angle radii'),0,wx.ALIGN_CENTER_VERTICAL) |
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277 | self.objList = {} |
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278 | for id,item in enumerate(self.data['AtomTypes']): |
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279 | radiiSizer.Add(wx.StaticText(self.panel,-1,' '+item),0,wx.ALIGN_CENTER_VERTICAL) |
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280 | bRadii = wx.TextCtrl(self.panel,-1,value='%.3f'%(data['BondRadii'][id]),style=wx.TE_PROCESS_ENTER) |
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281 | self.objList[bRadii.GetId()] = ['BondRadii',id] |
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282 | bRadii.Bind(wx.EVT_TEXT_ENTER,self.OnRadiiVal) |
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283 | bRadii.Bind(wx.EVT_KILL_FOCUS,self.OnRadiiVal) |
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284 | radiiSizer.Add(bRadii,0,wx.ALIGN_CENTER_VERTICAL) |
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285 | aRadii = wx.TextCtrl(self.panel,-1,value='%.3f'%(data['AngleRadii'][id]),style=wx.TE_PROCESS_ENTER) |
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286 | self.objList[aRadii.GetId()] = ['AngleRadii',id] |
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287 | aRadii.Bind(wx.EVT_TEXT_ENTER,self.OnRadiiVal) |
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288 | aRadii.Bind(wx.EVT_KILL_FOCUS,self.OnRadiiVal) |
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289 | radiiSizer.Add(aRadii,0,wx.ALIGN_CENTER_VERTICAL) |
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290 | mainSizer.Add(radiiSizer,0,wx.EXPAND) |
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291 | factorSizer = wx.FlexGridSizer(2,2,5,5) |
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292 | Names = ['Bond','Angle'] |
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293 | for i,name in enumerate(Names): |
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294 | factorSizer.Add(wx.StaticText(self.panel,-1,name+' search factor'),0,wx.ALIGN_CENTER_VERTICAL) |
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295 | bondFact = wx.TextCtrl(self.panel,-1,value='%.3f'%(data['Factors'][i]),style=wx.TE_PROCESS_ENTER) |
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296 | self.objList[bondFact.GetId()] = ['Factors',i] |
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297 | bondFact.Bind(wx.EVT_TEXT_ENTER,self.OnRadiiVal) |
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298 | bondFact.Bind(wx.EVT_KILL_FOCUS,self.OnRadiiVal) |
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299 | factorSizer.Add(bondFact) |
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300 | mainSizer.Add(factorSizer,0,wx.EXPAND) |
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301 | |
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302 | OkBtn = wx.Button(self.panel,-1,"Ok") |
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303 | OkBtn.Bind(wx.EVT_BUTTON, self.OnOk) |
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304 | ResetBtn = wx.Button(self.panel,-1,'Reset') |
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305 | ResetBtn.Bind(wx.EVT_BUTTON, self.OnReset) |
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306 | btnSizer = wx.BoxSizer(wx.HORIZONTAL) |
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307 | btnSizer.Add((20,20),1) |
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308 | btnSizer.Add(OkBtn) |
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309 | btnSizer.Add(ResetBtn) |
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310 | btnSizer.Add((20,20),1) |
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311 | mainSizer.Add(btnSizer,0,wx.EXPAND|wx.BOTTOM|wx.TOP, 10) |
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312 | self.panel.SetSizer(mainSizer) |
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313 | self.panel.Fit() |
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314 | self.Fit() |
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315 | |
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316 | def OnRadiiVal(self,event): |
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317 | Obj = event.GetEventObject() |
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318 | item = self.objList[Obj.GetId()] |
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319 | try: |
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320 | self.data[item[0]][item[1]] = float(Obj.GetValue()) |
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321 | except ValueError: |
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322 | pass |
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323 | Obj.SetValue("%.3f"%(self.data[item[0]][item[1]])) #reset in case of error |
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324 | |
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325 | def GetData(self): |
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326 | return self.data |
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327 | |
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328 | def OnOk(self,event): |
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329 | parent = self.GetParent() |
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330 | parent.Raise() |
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331 | self.EndModal(wx.ID_OK) |
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332 | |
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333 | def OnReset(self,event): |
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334 | data = {} |
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335 | self.__default__(data,self.default) |
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336 | self.Draw(self.data) |
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337 | |
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338 | class PickTwoDialog(wx.Dialog): |
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339 | '''This does not seem to be in use |
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340 | ''' |
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341 | def __init__(self,parent,title,prompt,names,choices): |
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342 | wx.Dialog.__init__(self,parent,-1,title, |
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343 | pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE) |
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344 | self.panel = wx.Panel(self) #just a dummy - gets destroyed in Draw! |
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345 | self.prompt = prompt |
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346 | self.choices = choices |
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347 | self.names = names |
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348 | self.Draw() |
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349 | |
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350 | def Draw(self): |
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351 | Indx = {} |
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352 | |
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353 | def OnSelection(event): |
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354 | Obj = event.GetEventObject() |
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355 | id = Indx[Obj.GetId()] |
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356 | self.choices[id] = Obj.GetValue().encode() #to avoid Unicode versions |
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357 | self.Draw() |
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358 | |
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359 | self.panel.DestroyChildren() |
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360 | self.panel.Destroy() |
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361 | self.panel = wx.Panel(self) |
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362 | mainSizer = wx.BoxSizer(wx.VERTICAL) |
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363 | mainSizer.Add(wx.StaticText(self.panel,-1,self.prompt),0,wx.ALIGN_CENTER) |
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364 | for isel,name in enumerate(self.choices): |
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365 | lineSizer = wx.BoxSizer(wx.HORIZONTAL) |
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366 | lineSizer.Add(wx.StaticText(self.panel,-1,'Reference atom '+str(isel+1)),0,wx.ALIGN_CENTER) |
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367 | nameList = self.names[:] |
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368 | if isel: |
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369 | if self.choices[0] in nameList: |
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370 | nameList.remove(self.choices[0]) |
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371 | choice = wx.ComboBox(self.panel,-1,value=name,choices=nameList, |
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372 | style=wx.CB_READONLY|wx.CB_DROPDOWN) |
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373 | Indx[choice.GetId()] = isel |
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374 | choice.Bind(wx.EVT_COMBOBOX, OnSelection) |
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375 | lineSizer.Add(choice,0,wx.ALIGN_CENTER) |
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376 | mainSizer.Add(lineSizer) |
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377 | OkBtn = wx.Button(self.panel,-1,"Ok") |
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378 | OkBtn.Bind(wx.EVT_BUTTON, self.OnOk) |
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379 | CancelBtn = wx.Button(self.panel,-1,'Cancel') |
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380 | CancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel) |
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381 | btnSizer = wx.BoxSizer(wx.HORIZONTAL) |
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382 | btnSizer.Add((20,20),1) |
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383 | btnSizer.Add(OkBtn) |
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384 | btnSizer.Add(CancelBtn) |
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385 | btnSizer.Add((20,20),1) |
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386 | mainSizer.Add(btnSizer,0,wx.EXPAND|wx.BOTTOM|wx.TOP, 10) |
---|
387 | self.panel.SetSizer(mainSizer) |
---|
388 | self.panel.Fit() |
---|
389 | self.Fit() |
---|
390 | |
---|
391 | def GetSelection(self): |
---|
392 | return self.choices |
---|
393 | |
---|
394 | def OnOk(self,event): |
---|
395 | parent = self.GetParent() |
---|
396 | parent.Raise() |
---|
397 | self.EndModal(wx.ID_OK) |
---|
398 | |
---|
399 | def OnCancel(self,event): |
---|
400 | parent = self.GetParent() |
---|
401 | parent.Raise() |
---|
402 | self.EndModal(wx.ID_CANCEL) |
---|
403 | |
---|
404 | class SingleFloatDialog(wx.Dialog): |
---|
405 | 'Dialog to obtain a single float value from user' |
---|
406 | def __init__(self,parent,title,prompt,value,limits=[0.,1.],format='%.5g'): |
---|
407 | wx.Dialog.__init__(self,parent,-1,title, |
---|
408 | pos=wx.DefaultPosition,style=wx.DEFAULT_DIALOG_STYLE) |
---|
409 | self.panel = wx.Panel(self) #just a dummy - gets destroyed in Draw! |
---|
410 | self.limits = limits |
---|
411 | self.value = value |
---|
412 | self.prompt = prompt |
---|
413 | self.format = format |
---|
414 | self.Draw() |
---|
415 | |
---|
416 | def Draw(self): |
---|
417 | |
---|
418 | def OnValItem(event): |
---|
419 | try: |
---|
420 | val = float(valItem.GetValue()) |
---|
421 | if val < self.limits[0] or val > self.limits[1]: |
---|
422 | raise ValueError |
---|
423 | except ValueError: |
---|
424 | val = self.value |
---|
425 | self.value = val |
---|
426 | valItem.SetValue(self.format%(self.value)) |
---|
427 | |
---|
428 | self.panel.Destroy() |
---|
429 | self.panel = wx.Panel(self) |
---|
430 | mainSizer = wx.BoxSizer(wx.VERTICAL) |
---|
431 | mainSizer.Add(wx.StaticText(self.panel,-1,self.prompt),0,wx.ALIGN_CENTER) |
---|
432 | valItem = wx.TextCtrl(self.panel,-1,value=self.format%(self.value),style=wx.TE_PROCESS_ENTER) |
---|
433 | mainSizer.Add(valItem,0,wx.ALIGN_CENTER) |
---|
434 | valItem.Bind(wx.EVT_TEXT_ENTER,OnValItem) |
---|
435 | valItem.Bind(wx.EVT_KILL_FOCUS,OnValItem) |
---|
436 | OkBtn = wx.Button(self.panel,-1,"Ok") |
---|
437 | OkBtn.Bind(wx.EVT_BUTTON, self.OnOk) |
---|
438 | CancelBtn = wx.Button(self.panel,-1,'Cancel') |
---|
439 | CancelBtn.Bind(wx.EVT_BUTTON, self.OnCancel) |
---|
440 | btnSizer = wx.BoxSizer(wx.HORIZONTAL) |
---|
441 | btnSizer.Add((20,20),1) |
---|
442 | btnSizer.Add(OkBtn) |
---|
443 | btnSizer.Add(CancelBtn) |
---|
444 | btnSizer.Add((20,20),1) |
---|
445 | mainSizer.Add(btnSizer,0,wx.EXPAND|wx.BOTTOM|wx.TOP, 10) |
---|
446 | self.panel.SetSizer(mainSizer) |
---|
447 | self.panel.Fit() |
---|
448 | self.Fit() |
---|
449 | |
---|
450 | def GetValue(self): |
---|
451 | return self.value |
---|
452 | |
---|
453 | def OnOk(self,event): |
---|
454 | parent = self.GetParent() |
---|
455 | parent.Raise() |
---|
456 | self.EndModal(wx.ID_OK) |
---|
457 | |
---|
458 | def OnCancel(self,event): |
---|
459 | parent = self.GetParent() |
---|
460 | parent.Raise() |
---|
461 | self.EndModal(wx.ID_CANCEL) |
---|
462 | |
---|
463 | class GridFractionEditor(wg.PyGridCellEditor): |
---|
464 | '''A grid cell editor class that allows entry of values as fractions as well |
---|
465 | as sine and cosine values [as s() and c()] |
---|
466 | ''' |
---|
467 | def __init__(self,grid): |
---|
468 | wg.PyGridCellEditor.__init__(self) |
---|
469 | |
---|
470 | def Create(self, parent, id, evtHandler): |
---|
471 | self._tc = wx.TextCtrl(parent, id, "") |
---|
472 | self._tc.SetInsertionPoint(0) |
---|
473 | self.SetControl(self._tc) |
---|
474 | |
---|
475 | if evtHandler: |
---|
476 | self._tc.PushEventHandler(evtHandler) |
---|
477 | |
---|
478 | self._tc.Bind(wx.EVT_CHAR, self.OnChar) |
---|
479 | |
---|
480 | def SetSize(self, rect): |
---|
481 | self._tc.SetDimensions(rect.x, rect.y, rect.width+2, rect.height+2, |
---|
482 | wx.SIZE_ALLOW_MINUS_ONE) |
---|
483 | |
---|
484 | def BeginEdit(self, row, col, grid): |
---|
485 | self.startValue = grid.GetTable().GetValue(row, col) |
---|
486 | self._tc.SetValue(str(self.startValue)) |
---|
487 | self._tc.SetInsertionPointEnd() |
---|
488 | self._tc.SetFocus() |
---|
489 | self._tc.SetSelection(0, self._tc.GetLastPosition()) |
---|
490 | |
---|
491 | def EndEdit(self, row, col, grid): |
---|
492 | changed = False |
---|
493 | |
---|
494 | val = self._tc.GetValue().lower() |
---|
495 | |
---|
496 | if val != self.startValue: |
---|
497 | changed = True |
---|
498 | neg = False |
---|
499 | if '-' in val: |
---|
500 | neg = True |
---|
501 | if '/' in val and '.' not in val: |
---|
502 | val += '.' |
---|
503 | elif 's' in val and not 'sind(' in val: |
---|
504 | if neg: |
---|
505 | val = '-sind('+val.strip('-s')+')' |
---|
506 | else: |
---|
507 | val = 'sind('+val.strip('s')+')' |
---|
508 | elif 'c' in val and not 'cosd(' in val: |
---|
509 | if neg: |
---|
510 | val = '-cosd('+val.strip('-c')+')' |
---|
511 | else: |
---|
512 | val = 'cosd('+val.strip('c')+')' |
---|
513 | try: |
---|
514 | val = float(eval(val)) |
---|
515 | except (SyntaxError,NameError): |
---|
516 | val = self.startValue |
---|
517 | grid.GetTable().SetValue(row, col, val) # update the table |
---|
518 | |
---|
519 | self.startValue = '' |
---|
520 | self._tc.SetValue('') |
---|
521 | return changed |
---|
522 | |
---|
523 | def Reset(self): |
---|
524 | self._tc.SetValue(self.startValue) |
---|
525 | self._tc.SetInsertionPointEnd() |
---|
526 | |
---|
527 | def Clone(self): |
---|
528 | return GridFractionEditor(grid) |
---|
529 | |
---|
530 | def StartingKey(self, evt): |
---|
531 | self.OnChar(evt) |
---|
532 | if evt.GetSkipped(): |
---|
533 | self._tc.EmulateKeyPress(evt) |
---|
534 | |
---|
535 | def OnChar(self, evt): |
---|
536 | key = evt.GetKeyCode() |
---|
537 | if key == 15: |
---|
538 | return |
---|
539 | if key > 255: |
---|
540 | evt.Skip() |
---|
541 | return |
---|
542 | char = chr(key) |
---|
543 | if char in '.+-/0123456789cosind()': |
---|
544 | self._tc.WriteText(char) |
---|
545 | else: |
---|
546 | evt.Skip() |
---|
547 | |
---|
548 | class MyHelp(wx.Menu): |
---|
549 | ''' |
---|
550 | A class that creates the contents of a help menu. |
---|
551 | The menu will start with two entries: |
---|
552 | |
---|
553 | * 'Help on <helpType>': where helpType is a reference to an HTML page to |
---|
554 | be opened |
---|
555 | * About: opens an About dialog using OnHelpAbout. N.B. on the Mac this |
---|
556 | gets moved to the App menu to be consistent with Apple style. |
---|
557 | |
---|
558 | NOTE: for this to work properly with respect to system menus, the title |
---|
559 | for the menu must be &Help, or it will not be processed properly: |
---|
560 | |
---|
561 | :: |
---|
562 | |
---|
563 | menu.Append(menu=MyHelp(self,...),title="&Help") |
---|
564 | |
---|
565 | ''' |
---|
566 | def __init__(self,frame,helpType=None,helpLbl=None,morehelpitems=[],title=''): |
---|
567 | wx.Menu.__init__(self,title) |
---|
568 | self.HelpById = {} |
---|
569 | self.frame = frame |
---|
570 | self.Append(help='', id=wx.ID_ABOUT, kind=wx.ITEM_NORMAL, |
---|
571 | text='&About GSAS-II') |
---|
572 | frame.Bind(wx.EVT_MENU, self.OnHelpAbout, id=wx.ID_ABOUT) |
---|
573 | if GSASIIpath.whichsvn(): |
---|
574 | helpobj = self.Append( |
---|
575 | help='', id=wx.ID_ANY, kind=wx.ITEM_NORMAL, |
---|
576 | text='&Check for updates') |
---|
577 | frame.Bind(wx.EVT_MENU, self.OnCheckUpdates, helpobj) |
---|
578 | for lbl,indx in morehelpitems: |
---|
579 | helpobj = self.Append(text=lbl, |
---|
580 | id=wx.ID_ANY, kind=wx.ITEM_NORMAL) |
---|
581 | frame.Bind(wx.EVT_MENU, self.OnHelpById, helpobj) |
---|
582 | self.HelpById[helpobj.GetId()] = indx |
---|
583 | # add a help item only when helpType is specified |
---|
584 | if helpType is not None: |
---|
585 | self.AppendSeparator() |
---|
586 | if helpLbl is None: helpLbl = helpType |
---|
587 | helpobj = self.Append(text='Help on '+helpLbl, |
---|
588 | id=wx.ID_ANY, kind=wx.ITEM_NORMAL) |
---|
589 | frame.Bind(wx.EVT_MENU, self.OnHelpById, helpobj) |
---|
590 | self.HelpById[helpobj.GetId()] = helpType |
---|
591 | |
---|
592 | def OnHelpById(self,event): |
---|
593 | '''Called when Help on... is pressed in a menu. Brings up |
---|
594 | a web page for documentation. |
---|
595 | ''' |
---|
596 | helpType = self.HelpById.get(event.GetId()) |
---|
597 | if helpType is None: |
---|
598 | print 'Error: help lookup failed!',event.GetEventObject() |
---|
599 | print 'id=',event.GetId() |
---|
600 | else: |
---|
601 | ShowHelp(helpType,self.frame) |
---|
602 | |
---|
603 | def OnHelpAbout(self, event): |
---|
604 | "Display an 'About GSAS-II' box" |
---|
605 | global __version__ |
---|
606 | info = wx.AboutDialogInfo() |
---|
607 | info.Name = 'GSAS-II' |
---|
608 | info.Version = __version__ + ' Revision '+str(GSASIIpath.GetVersionNumber()) |
---|
609 | info.Copyright = ''' |
---|
610 | Robert B. Von Dreele & Brian H. Toby |
---|
611 | Argonne National Laboratory(C) |
---|
612 | This product includes software developed |
---|
613 | by the UChicago Argonne, LLC, as |
---|
614 | Operator of Argonne National Laboratory. |
---|
615 | Please cite: |
---|
616 | B.H. Toby & R.B. Von Dreele, J. Appl. Cryst. 46, 544-549 (2013) ''' |
---|
617 | info.Description = ''' |
---|
618 | General Structure Analysis System - GSAS-II |
---|
619 | ''' |
---|
620 | wx.AboutBox(info) |
---|
621 | |
---|
622 | def OnCheckUpdates(self,event): |
---|
623 | '''Check if the GSAS-II repository has an update for the current source files |
---|
624 | and perform that update if requested. |
---|
625 | ''' |
---|
626 | if not GSASIIpath.whichsvn(): |
---|
627 | dlg = wx.MessageDialog(self,'No Subversion','Cannot update GSAS-II because subversion (svn) '+ |
---|
628 | 'was not found.' |
---|
629 | ,wx.OK) |
---|
630 | dlg.ShowModal() |
---|
631 | return |
---|
632 | wx.BeginBusyCursor() |
---|
633 | local = GSASIIpath.svnGetRev() |
---|
634 | if local is None: |
---|
635 | wx.EndBusyCursor() |
---|
636 | dlg = wx.MessageDialog(self.frame, |
---|
637 | 'Unable to run subversion on the GSAS-II current directory. Is GSAS-II installed correctly?', |
---|
638 | 'Subversion error', |
---|
639 | wx.OK) |
---|
640 | dlg.ShowModal() |
---|
641 | return |
---|
642 | print 'Installed GSAS-II version: '+local |
---|
643 | repos = GSASIIpath.svnGetRev(local=False) |
---|
644 | wx.EndBusyCursor() |
---|
645 | if repos is None: |
---|
646 | dlg = wx.MessageDialog(self.frame, |
---|
647 | 'Unable to access the GSAS-II server. Is this computer on the internet?', |
---|
648 | 'Server unavailable', |
---|
649 | wx.OK) |
---|
650 | dlg.ShowModal() |
---|
651 | return |
---|
652 | print 'GSAS-II version on server: '+repos |
---|
653 | if local == repos: |
---|
654 | dlg = wx.MessageDialog(self.frame, |
---|
655 | 'GSAS-II is up-to-date. Version '+local+' is already loaded.', |
---|
656 | 'GSAS-II Up-to-date', |
---|
657 | wx.OK) |
---|
658 | dlg.ShowModal() |
---|
659 | return |
---|
660 | mods = GSASIIpath.svnFindLocalChanges() |
---|
661 | if mods: |
---|
662 | dlg = wx.MessageDialog(self.frame, |
---|
663 | 'You have version '+local+ |
---|
664 | ' of GSAS-II installed, but the current version is '+repos+ |
---|
665 | '. However, you have modified '+str(len(mods))+ |
---|
666 | ' file(s) on your local computer have been modified.' |
---|
667 | ' Updating could wipe out your local changes. Press OK to start an update:', |
---|
668 | 'Local GSAS-II Mods', |
---|
669 | wx.OK|wx.CANCEL) |
---|
670 | if dlg.ShowModal() != wx.ID_OK: return |
---|
671 | else: |
---|
672 | dlg = wx.MessageDialog(self.frame, |
---|
673 | 'You have version '+local+ |
---|
674 | ' of GSAS-II installed, but the current version is '+repos+ |
---|
675 | '. Press OK to start an update:', |
---|
676 | 'GSAS-II Updates', |
---|
677 | wx.OK|wx.CANCEL) |
---|
678 | if dlg.ShowModal() != wx.ID_OK: return |
---|
679 | print 'start updates' |
---|
680 | wx.BeginBusyCursor() |
---|
681 | moddict = GSASIIpath.svnUpdateDir() |
---|
682 | wx.EndBusyCursor() |
---|
683 | if moddict is None: |
---|
684 | dlg = wx.MessageDialog(self.frame, |
---|
685 | 'Error accessing the GSAS-II server or performing the update. '+ |
---|
686 | 'Try again later or perform a manual update', |
---|
687 | 'Update Error', |
---|
688 | wx.OK) |
---|
689 | dlg.ShowModal() |
---|
690 | return |
---|
691 | modsbytype = {} |
---|
692 | for key in moddict: |
---|
693 | typ = moddict[key] |
---|
694 | if modsbytype.get(typ) is None: |
---|
695 | modsbytype[typ] = [] |
---|
696 | modsbytype[typ].append(key) |
---|
697 | msg = 'Update was completed. Changes will take effect when GSAS-II is next updated. The following files were updated, ordered by status:' |
---|
698 | for key in modsbytype: |
---|
699 | msg += '\n' + key + ':\n\t' |
---|
700 | for fil in modsbytype: |
---|
701 | msg += fil + ', ' |
---|
702 | dlg = wx.MessageDialog(self.frame,msg, 'Update Completed', wx.OK) |
---|
703 | dlg.ShowModal() |
---|
704 | return |
---|
705 | |
---|
706 | class AddHelp(wx.Menu): |
---|
707 | '''This class a single entry for the help menu (used on the Mac only): |
---|
708 | 'Help on <helpType>': where helpType is a reference to an HTML page to |
---|
709 | be opened |
---|
710 | |
---|
711 | NOTE: the title when appending this menu should be '&Help' so the wx handles |
---|
712 | it correctly. |
---|
713 | ''' |
---|
714 | def __init__(self,frame,helpType,helpLbl=None,title=''): |
---|
715 | wx.Menu.__init__(self,title) |
---|
716 | self.frame = frame |
---|
717 | if helpLbl is None: helpLbl = helpType |
---|
718 | # add a help item only when helpType is specified |
---|
719 | helpobj = self.Append(text='Help on '+helpLbl, |
---|
720 | id=wx.ID_ANY, kind=wx.ITEM_NORMAL) |
---|
721 | frame.Bind(wx.EVT_MENU, self.OnHelpById, helpobj) |
---|
722 | self.HelpById = helpType |
---|
723 | |
---|
724 | def OnHelpById(self,event): |
---|
725 | '''Called when Help on... is pressed in a menu. Brings up |
---|
726 | a web page for documentation. |
---|
727 | ''' |
---|
728 | ShowHelp(self.HelpById,self.frame) |
---|
729 | |
---|
730 | class MyHtmlPanel(wx.Panel): |
---|
731 | '''Defines a panel to display Help information''' |
---|
732 | def __init__(self, frame, id): |
---|
733 | self.frame = frame |
---|
734 | wx.Panel.__init__(self, frame, id) |
---|
735 | sizer = wx.BoxSizer(wx.VERTICAL) |
---|
736 | back = wx.Button(self, -1, "Back") |
---|
737 | back.Bind(wx.EVT_BUTTON, self.OnBack) |
---|
738 | self.htmlwin = G2HtmlWindow(self, id, size=(750,450)) |
---|
739 | sizer.Add(self.htmlwin, 1,wx.EXPAND) |
---|
740 | sizer.Add(back, 0, wx.ALIGN_LEFT, 0) |
---|
741 | self.SetSizer(sizer) |
---|
742 | sizer.Fit(frame) |
---|
743 | self.Bind(wx.EVT_SIZE,self.OnHelpSize) |
---|
744 | def OnHelpSize(self,event): #does the job but weirdly!! |
---|
745 | anchor = self.htmlwin.GetOpenedAnchor() |
---|
746 | if anchor: |
---|
747 | self.htmlwin.ScrollToAnchor(anchor) |
---|
748 | wx.CallAfter(self.htmlwin.ScrollToAnchor,anchor) |
---|
749 | event.Skip() |
---|
750 | def OnBack(self, event): |
---|
751 | self.htmlwin.HistoryBack() |
---|
752 | def LoadFile(self,file): |
---|
753 | pos = file.rfind('#') |
---|
754 | if pos != -1: |
---|
755 | helpfile = file[:pos] |
---|
756 | helpanchor = file[pos+1:] |
---|
757 | else: |
---|
758 | helpfile = file |
---|
759 | helpanchor = None |
---|
760 | self.htmlwin.LoadPage(helpfile) |
---|
761 | if helpanchor is not None: |
---|
762 | self.htmlwin.ScrollToAnchor(helpanchor) |
---|
763 | xs,ys = self.htmlwin.GetViewStart() |
---|
764 | self.htmlwin.Scroll(xs,ys-1) |
---|
765 | |
---|
766 | class G2HtmlWindow(wx.html.HtmlWindow): |
---|
767 | '''Displays help information in a primitive HTML browser type window |
---|
768 | ''' |
---|
769 | def __init__(self, parent, *args, **kwargs): |
---|
770 | self.parent = parent |
---|
771 | wx.html.HtmlWindow.__init__(self, parent, *args, **kwargs) |
---|
772 | def LoadPage(self, *args, **kwargs): |
---|
773 | wx.html.HtmlWindow.LoadPage(self, *args, **kwargs) |
---|
774 | self.TitlePage() |
---|
775 | def OnLinkClicked(self, *args, **kwargs): |
---|
776 | wx.html.HtmlWindow.OnLinkClicked(self, *args, **kwargs) |
---|
777 | xs,ys = self.GetViewStart() |
---|
778 | self.Scroll(xs,ys-1) |
---|
779 | self.TitlePage() |
---|
780 | def HistoryBack(self, *args, **kwargs): |
---|
781 | wx.html.HtmlWindow.HistoryBack(self, *args, **kwargs) |
---|
782 | self.TitlePage() |
---|
783 | def TitlePage(self): |
---|
784 | self.parent.frame.SetTitle(self.GetOpenedPage() + ' -- ' + |
---|
785 | self.GetOpenedPageTitle()) |
---|
786 | |
---|
787 | class DataFrame(wx.Frame): |
---|
788 | '''Create the dataframe window and all the entries in menus. |
---|
789 | The binding is for the menus is not done here, but rather is done |
---|
790 | where the functions can be accessed (in various GSASII*GUI modules). |
---|
791 | ''' |
---|
792 | def Bind(self,*args,**kwargs): |
---|
793 | '''Override the Bind() function: on the Mac the binding is to |
---|
794 | the main window, so that menus operate with any window on top. |
---|
795 | For other platforms, call the default wx.Frame Bind() |
---|
796 | ''' |
---|
797 | if sys.platform == "darwin": # mac |
---|
798 | self.G2frame.Bind(*args,**kwargs) |
---|
799 | else: |
---|
800 | wx.Frame.Bind(self,*args,**kwargs) |
---|
801 | |
---|
802 | def PrefillDataMenu(self,menu,helpType,helpLbl=None,empty=False): |
---|
803 | '''Create the "standard" part of data frame menus. Note that on Linux and |
---|
804 | Windows nothing happens here. On Mac, this menu duplicates the |
---|
805 | tree menu, but adds an extra help command for the data item and a separator. |
---|
806 | ''' |
---|
807 | self.datamenu = menu |
---|
808 | self.helpType = helpType |
---|
809 | self.helpLbl = helpLbl |
---|
810 | if sys.platform == "darwin": # mac |
---|
811 | self.G2frame.FillMainMenu(menu) # add the data tree menu items |
---|
812 | if not empty: |
---|
813 | menu.Append(wx.Menu(title=''),title='|') # add a separator |
---|
814 | |
---|
815 | def PostfillDataMenu(self,empty=False): |
---|
816 | '''Create the "standard" part of data frame menus. Note that on Linux and |
---|
817 | Windows, this is the standard help Menu. On Mac, this menu duplicates the |
---|
818 | tree menu, but adds an extra help command for the data item and a separator. |
---|
819 | ''' |
---|
820 | menu = self.datamenu |
---|
821 | helpType = self.helpType |
---|
822 | helpLbl = self.helpLbl |
---|
823 | if sys.platform == "darwin": # mac |
---|
824 | if not empty: |
---|
825 | menu.Append(wx.Menu(title=''),title='|') # add another separator |
---|
826 | menu.Append(AddHelp(self.G2frame,helpType=helpType, helpLbl=helpLbl), |
---|
827 | title='&Help') |
---|
828 | else: # other |
---|
829 | menu.Append(menu=MyHelp(self,helpType=helpType, helpLbl=helpLbl), |
---|
830 | title='&Help') |
---|
831 | |
---|
832 | def _init_menus(self): |
---|
833 | 'define all GSAS-II data frame menus' |
---|
834 | |
---|
835 | # for use where no menu or data frame help is provided |
---|
836 | self.BlankMenu = wx.MenuBar() |
---|
837 | |
---|
838 | # Controls |
---|
839 | self.ControlsMenu = wx.MenuBar() |
---|
840 | self.PrefillDataMenu(self.ControlsMenu,helpType='Controls',empty=True) |
---|
841 | self.PostfillDataMenu(empty=True) |
---|
842 | |
---|
843 | # Notebook |
---|
844 | self.DataNotebookMenu = wx.MenuBar() |
---|
845 | self.PrefillDataMenu(self.DataNotebookMenu,helpType='Notebook',empty=True) |
---|
846 | self.PostfillDataMenu(empty=True) |
---|
847 | |
---|
848 | # Comments |
---|
849 | self.DataCommentsMenu = wx.MenuBar() |
---|
850 | self.PrefillDataMenu(self.DataCommentsMenu,helpType='Comments',empty=True) |
---|
851 | self.PostfillDataMenu(empty=True) |
---|
852 | |
---|
853 | # Constraints |
---|
854 | self.ConstraintMenu = wx.MenuBar() |
---|
855 | self.PrefillDataMenu(self.ConstraintMenu,helpType='Constraints') |
---|
856 | self.ConstraintEdit = wx.Menu(title='') |
---|
857 | self.ConstraintMenu.Append(menu=self.ConstraintEdit, title='Edit') |
---|
858 | self.ConstraintEdit.Append(id=wxID_HOLDADD, kind=wx.ITEM_NORMAL,text='Add hold', |
---|
859 | help='Add hold on a parameter value') |
---|
860 | self.ConstraintEdit.Append(id=wxID_EQUIVADD, kind=wx.ITEM_NORMAL,text='Add equivalence', |
---|
861 | help='Add equivalence between parameter values') |
---|
862 | self.ConstraintEdit.Append(id=wxID_CONSTRAINTADD, kind=wx.ITEM_NORMAL,text='Add constraint', |
---|
863 | help='Add constraint on parameter values') |
---|
864 | self.ConstraintEdit.Append(id=wxID_FUNCTADD, kind=wx.ITEM_NORMAL,text='Add New Var', |
---|
865 | help='Add variable composed of existing parameter') |
---|
866 | self.PostfillDataMenu() |
---|
867 | |
---|
868 | # Rigid bodies |
---|
869 | self.VectorRBEdit = wx.Menu(title='') |
---|
870 | self.VectorRBEdit.Append(id=wxID_RIGIDBODYADD, kind=wx.ITEM_NORMAL,text='Add rigid body', |
---|
871 | help='Add vector rigid body') |
---|
872 | self.ResidueRBMenu = wx.Menu(title='') |
---|
873 | self.ResidueRBMenu.Append(id=wxID_RIGIDBODYIMPORT, kind=wx.ITEM_NORMAL,text='Import XYZ', |
---|
874 | help='Import rigid body XYZ from file') |
---|
875 | self.ResidueRBMenu.Append(id=wxID_RESIDUETORSSEQ, kind=wx.ITEM_NORMAL,text='Define sequence', |
---|
876 | help='Define torsion sequence') |
---|
877 | self.ResidueRBMenu.Append(id=wxID_RIGIDBODYADD, kind=wx.ITEM_NORMAL,text='Import residues', |
---|
878 | help='Import residue rigid bodies from macro file') |
---|
879 | |
---|
880 | self.RigidBodyMenu = wx.MenuBar() |
---|
881 | self.PrefillDataMenu(self.RigidBodyMenu,helpType='Rigid bodies') |
---|
882 | self.RigidBodyMenu.Append(menu=self.VectorRBEdit, title='Edit') |
---|
883 | self.PostfillDataMenu() |
---|
884 | |
---|
885 | # Restraints |
---|
886 | self.RestraintEdit = wx.Menu(title='') |
---|
887 | self.RestraintEdit.Append(id=wxID_RESTSELPHASE, kind=wx.ITEM_NORMAL,text='Select phase', |
---|
888 | help='Select phase') |
---|
889 | self.RestraintEdit.Append(id=wxID_RESTRAINTADD, kind=wx.ITEM_NORMAL,text='Add restraints', |
---|
890 | help='Add restraints') |
---|
891 | self.RestraintEdit.Enable(wxID_RESTRAINTADD,True) #gets disenabled if macromolecule phase |
---|
892 | self.RestraintEdit.Append(id=wxID_AARESTRAINTADD, kind=wx.ITEM_NORMAL,text='Add residue restraints', |
---|
893 | help='Add residue based restraints for macromolecules from macro file') |
---|
894 | self.RestraintEdit.Enable(wxID_AARESTRAINTADD,False) #gets enabled if macromolecule phase |
---|
895 | self.RestraintEdit.Append(id=wxID_AARESTRAINTPLOT, kind=wx.ITEM_NORMAL,text='Plot residue restraints', |
---|
896 | help='Plot selected residue based restraints for macromolecules from macro file') |
---|
897 | self.RestraintEdit.Enable(wxID_AARESTRAINTPLOT,False) #gets enabled if macromolecule phase |
---|
898 | self.RestraintEdit.Append(id=wxID_RESRCHANGEVAL, kind=wx.ITEM_NORMAL,text='Change value', |
---|
899 | help='Change observed value') |
---|
900 | self.RestraintEdit.Append(id=wxID_RESTCHANGEESD, kind=wx.ITEM_NORMAL,text='Change esd', |
---|
901 | help='Change esd in observed value') |
---|
902 | self.RestraintEdit.Append(id=wxID_RESTDELETE, kind=wx.ITEM_NORMAL,text='Delete restraints', |
---|
903 | help='Delete selected restraints') |
---|
904 | |
---|
905 | self.RestraintMenu = wx.MenuBar() |
---|
906 | self.PrefillDataMenu(self.RestraintMenu,helpType='Restraints') |
---|
907 | self.RestraintMenu.Append(menu=self.RestraintEdit, title='Edit') |
---|
908 | self.PostfillDataMenu() |
---|
909 | |
---|
910 | # Sequential results |
---|
911 | self.SequentialMenu = wx.MenuBar() |
---|
912 | self.PrefillDataMenu(self.SequentialMenu,helpType='Sequential',helpLbl='Sequential Refinement') |
---|
913 | self.SequentialFile = wx.Menu(title='') |
---|
914 | self.SequentialMenu.Append(menu=self.SequentialFile, title='File') |
---|
915 | self.SequentialFile.Append(id=wxID_SAVESEQSEL, kind=wx.ITEM_NORMAL,text='Save...', |
---|
916 | help='Save selected sequential refinement results') |
---|
917 | self.PostfillDataMenu() |
---|
918 | |
---|
919 | # PDR |
---|
920 | self.ErrorMenu = wx.MenuBar() |
---|
921 | self.PrefillDataMenu(self.ErrorMenu,helpType='PWD Analysis',helpLbl='Powder Fit Error Analysis') |
---|
922 | self.ErrorAnal = wx.Menu(title='') |
---|
923 | self.ErrorMenu.Append(menu=self.ErrorAnal,title='Analysis') |
---|
924 | self.ErrorAnal.Append(id=wxID_PWDANALYSIS,kind=wx.ITEM_NORMAL,text='Analyze', |
---|
925 | help='Error analysis on powder pattern') |
---|
926 | self.PostfillDataMenu() |
---|
927 | |
---|
928 | # PDR / Limits |
---|
929 | self.LimitMenu = wx.MenuBar() |
---|
930 | self.PrefillDataMenu(self.LimitMenu,helpType='Limits') |
---|
931 | self.LimitEdit = wx.Menu(title='') |
---|
932 | self.LimitMenu.Append(menu=self.LimitEdit, title='File') |
---|
933 | self.LimitEdit.Append(id=wxID_LIMITCOPY, kind=wx.ITEM_NORMAL,text='Copy', |
---|
934 | help='Copy limits to other histograms') |
---|
935 | self.PostfillDataMenu() |
---|
936 | |
---|
937 | # PDR / Background |
---|
938 | self.BackMenu = wx.MenuBar() |
---|
939 | self.PrefillDataMenu(self.BackMenu,helpType='Background') |
---|
940 | self.BackEdit = wx.Menu(title='') |
---|
941 | self.BackMenu.Append(menu=self.BackEdit, title='File') |
---|
942 | self.BackEdit.Append(id=wxID_BACKCOPY, kind=wx.ITEM_NORMAL,text='Copy', |
---|
943 | help='Copy background parameters to other histograms') |
---|
944 | self.BackEdit.Append(id=wxID_BACKFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags', |
---|
945 | help='Copy background refinement flags to other histograms') |
---|
946 | self.PostfillDataMenu() |
---|
947 | |
---|
948 | # PDR / Instrument Parameters |
---|
949 | self.InstMenu = wx.MenuBar() |
---|
950 | self.PrefillDataMenu(self.InstMenu,helpType='Instrument Parameters') |
---|
951 | self.InstEdit = wx.Menu(title='') |
---|
952 | self.InstMenu.Append(menu=self.InstEdit, title='Operations') |
---|
953 | self.InstEdit.Append(help='Reset instrument profile parameters to default', |
---|
954 | id=wxID_INSTLOAD, kind=wx.ITEM_NORMAL,text='Load profile...') |
---|
955 | self.InstEdit.Append(help='Load instrument profile parameters from file', |
---|
956 | id=wxID_INSTSAVE, kind=wx.ITEM_NORMAL,text='Save profile...') |
---|
957 | self.InstEdit.Append(help='Save instrument profile parameters to file', |
---|
958 | id=wxID_INSTPRMRESET, kind=wx.ITEM_NORMAL,text='Reset profile') |
---|
959 | self.InstEdit.Append(help='Copy instrument profile parameters to other histograms', |
---|
960 | id=wxID_INSTCOPY, kind=wx.ITEM_NORMAL,text='Copy') |
---|
961 | self.InstEdit.Append(id=wxID_INSTFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags', |
---|
962 | help='Copy instrument parameter refinement flags to other histograms') |
---|
963 | # self.InstEdit.Append(help='Change radiation type (Ka12 - synch)', |
---|
964 | # id=wxID_CHANGEWAVETYPE, kind=wx.ITEM_NORMAL,text='Change radiation') |
---|
965 | self.PostfillDataMenu() |
---|
966 | |
---|
967 | # PDR / Sample Parameters |
---|
968 | self.SampleMenu = wx.MenuBar() |
---|
969 | self.PrefillDataMenu(self.SampleMenu,helpType='Sample Parameters') |
---|
970 | self.SampleEdit = wx.Menu(title='') |
---|
971 | self.SampleMenu.Append(menu=self.SampleEdit, title='File') |
---|
972 | self.SampleEdit.Append(id=wxID_SAMPLELOAD, kind=wx.ITEM_NORMAL,text='Load', |
---|
973 | help='Load sample parameters from file') |
---|
974 | self.SampleEdit.Append(id=wxID_SAMPLESAVE, kind=wx.ITEM_NORMAL,text='Save', |
---|
975 | help='Save sample parameters to file') |
---|
976 | self.SampleEdit.Append(id=wxID_SAMPLECOPY, kind=wx.ITEM_NORMAL,text='Copy', |
---|
977 | help='Copy refinable sample parameters to other histograms') |
---|
978 | self.SampleEdit.Append(id=wxID_SAMPLEFLAGCOPY, kind=wx.ITEM_NORMAL,text='Copy flags', |
---|
979 | help='Copy sample parameter refinement flags to other histograms') |
---|
980 | self.PostfillDataMenu() |
---|
981 | |
---|
982 | # PDR / Peak List |
---|
983 | self.PeakMenu = wx.MenuBar() |
---|
984 | self.PrefillDataMenu(self.PeakMenu,helpType='Peak List') |
---|
985 | self.PeakEdit = wx.Menu(title='') |
---|
986 | self.PeakMenu.Append(menu=self.PeakEdit, title='Peak Fitting') |
---|
987 | self.AutoSearch = self.PeakEdit.Append(help='Automatic peak search', |
---|
988 | id=wxID_AUTOSEARCH, kind=wx.ITEM_NORMAL,text='Auto search') |
---|
989 | self.UnDo = self.PeakEdit.Append(help='Undo last least squares refinement', |
---|
990 | id=wxID_UNDO, kind=wx.ITEM_NORMAL,text='UnDo') |
---|
991 | self.PeakFit = self.PeakEdit.Append(id=wxID_LSQPEAKFIT, kind=wx.ITEM_NORMAL,text='LSQ PeakFit', |
---|
992 | help='Peak fitting via least-squares' ) |
---|
993 | self.PFOneCycle = self.PeakEdit.Append(id=wxID_LSQONECYCLE, kind=wx.ITEM_NORMAL,text='LSQ one cycle', |
---|
994 | help='One cycle of Peak fitting via least-squares' ) |
---|
995 | self.PeakEdit.Append(id=wxID_RESETSIGGAM, kind=wx.ITEM_NORMAL, |
---|
996 | text='Reset sig and gam',help='Reset sigma and gamma to global fit' ) |
---|
997 | self.PeakEdit.Append(id=wxID_CLEARPEAKS, kind=wx.ITEM_NORMAL,text='Clear peaks', |
---|
998 | help='Clear the peak list' ) |
---|
999 | self.PostfillDataMenu() |
---|
1000 | self.UnDo.Enable(False) |
---|
1001 | self.PeakFit.Enable(False) |
---|
1002 | self.PFOneCycle.Enable(False) |
---|
1003 | |
---|
1004 | # PDR / Index Peak List |
---|
1005 | self.IndPeaksMenu = wx.MenuBar() |
---|
1006 | self.PrefillDataMenu(self.IndPeaksMenu,helpType='Index Peak List') |
---|
1007 | self.IndPeaksEdit = wx.Menu(title='') |
---|
1008 | self.IndPeaksMenu.Append(menu=self.IndPeaksEdit,title='Operations') |
---|
1009 | self.IndPeaksEdit.Append(help='Load/Reload index peaks from peak list',id=wxID_INDXRELOAD, |
---|
1010 | kind=wx.ITEM_NORMAL,text='Load/Reload') |
---|
1011 | self.PostfillDataMenu() |
---|
1012 | |
---|
1013 | # PDR / Unit Cells List |
---|
1014 | self.IndexMenu = wx.MenuBar() |
---|
1015 | self.PrefillDataMenu(self.IndexMenu,helpType='Unit Cells List') |
---|
1016 | self.IndexEdit = wx.Menu(title='') |
---|
1017 | self.IndexMenu.Append(menu=self.IndexEdit, title='Cell Index/Refine') |
---|
1018 | self.IndexPeaks = self.IndexEdit.Append(help='', id=wxID_INDEXPEAKS, kind=wx.ITEM_NORMAL, |
---|
1019 | text='Index Cell') |
---|
1020 | self.CopyCell = self.IndexEdit.Append( id=wxID_COPYCELL, kind=wx.ITEM_NORMAL,text='Copy Cell', |
---|
1021 | help='Copy selected unit cell from indexing to cell refinement fields') |
---|
1022 | self.RefineCell = self.IndexEdit.Append( id=wxID_REFINECELL, kind=wx.ITEM_NORMAL, |
---|
1023 | text='Refine Cell',help='Refine unit cell parameters from indexed peaks') |
---|
1024 | self.MakeNewPhase = self.IndexEdit.Append( id=wxID_MAKENEWPHASE, kind=wx.ITEM_NORMAL, |
---|
1025 | text='Make new phase',help='Make new phase from selected unit cell') |
---|
1026 | self.PostfillDataMenu() |
---|
1027 | self.IndexPeaks.Enable(False) |
---|
1028 | self.CopyCell.Enable(False) |
---|
1029 | self.RefineCell.Enable(False) |
---|
1030 | self.MakeNewPhase.Enable(False) |
---|
1031 | |
---|
1032 | # PDR / Reflection Lists |
---|
1033 | self.ReflMenu = wx.MenuBar() |
---|
1034 | self.PrefillDataMenu(self.ReflMenu,helpType='Reflection List') |
---|
1035 | self.ReflEdit = wx.Menu(title='') |
---|
1036 | self.ReflMenu.Append(menu=self.ReflEdit, title='Reflection List') |
---|
1037 | self.SelectPhase = self.ReflEdit.Append(help='Select phase for reflection list',id=wxID_SELECTPHASE, |
---|
1038 | kind=wx.ITEM_NORMAL,text='Select phase') |
---|
1039 | self.PostfillDataMenu() |
---|
1040 | |
---|
1041 | # IMG / Image Controls |
---|
1042 | self.ImageMenu = wx.MenuBar() |
---|
1043 | self.PrefillDataMenu(self.ImageMenu,helpType='Image Controls') |
---|
1044 | self.ImageEdit = wx.Menu(title='') |
---|
1045 | self.ImageMenu.Append(menu=self.ImageEdit, title='Operations') |
---|
1046 | self.ImageEdit.Append(help='Calibrate detector by fitting to calibrant lines', |
---|
1047 | id=wxID_IMCALIBRATE, kind=wx.ITEM_NORMAL,text='Calibrate') |
---|
1048 | self.ImageEdit.Append(help='Recalibrate detector by fitting to calibrant lines', |
---|
1049 | id=wxID_IMRECALIBRATE, kind=wx.ITEM_NORMAL,text='Recalibrate') |
---|
1050 | self.ImageEdit.Append(help='Clear calibration data points and rings',id=wxID_IMCLEARCALIB, |
---|
1051 | kind=wx.ITEM_NORMAL,text='Clear calibration') |
---|
1052 | self.ImageEdit.Append(help='Integrate selected image',id=wxID_IMINTEGRATE, |
---|
1053 | kind=wx.ITEM_NORMAL,text='Integrate') |
---|
1054 | self.ImageEdit.Append(help='Integrate all images selected from list',id=wxID_INTEGRATEALL, |
---|
1055 | kind=wx.ITEM_NORMAL,text='Integrate all') |
---|
1056 | self.ImageEdit.Append(help='Copy image controls to other images', |
---|
1057 | id=wxID_IMCOPYCONTROLS, kind=wx.ITEM_NORMAL,text='Copy Controls') |
---|
1058 | self.ImageEdit.Append(help='Save image controls to file', |
---|
1059 | id=wxID_IMSAVECONTROLS, kind=wx.ITEM_NORMAL,text='Save Controls') |
---|
1060 | self.ImageEdit.Append(help='Load image controls from file', |
---|
1061 | id=wxID_IMLOADCONTROLS, kind=wx.ITEM_NORMAL,text='Load Controls') |
---|
1062 | self.PostfillDataMenu() |
---|
1063 | |
---|
1064 | # IMG / Masks |
---|
1065 | self.MaskMenu = wx.MenuBar() |
---|
1066 | self.PrefillDataMenu(self.MaskMenu,helpType='Image Masks') |
---|
1067 | self.MaskEdit = wx.Menu(title='') |
---|
1068 | self.MaskMenu.Append(menu=self.MaskEdit, title='Operations') |
---|
1069 | self.MaskEdit.Append(help='Copy mask to other images', |
---|
1070 | id=wxID_MASKCOPY, kind=wx.ITEM_NORMAL,text='Copy mask') |
---|
1071 | self.MaskEdit.Append(help='Save mask to file', |
---|
1072 | id=wxID_MASKSAVE, kind=wx.ITEM_NORMAL,text='Save mask') |
---|
1073 | self.MaskEdit.Append(help='Load mask from file', |
---|
1074 | id=wxID_MASKLOAD, kind=wx.ITEM_NORMAL,text='Load mask') |
---|
1075 | self.PostfillDataMenu() |
---|
1076 | |
---|
1077 | # IMG / Stress/Strain |
---|
1078 | self.StrStaMenu = wx.MenuBar() |
---|
1079 | self.PrefillDataMenu(self.StrStaMenu,helpType='Stress/Strain') |
---|
1080 | self.StrStaEdit = wx.Menu(title='') |
---|
1081 | self.StrStaMenu.Append(menu=self.StrStaEdit, title='Operations') |
---|
1082 | self.StrStaEdit.Append(help='Append d-zero for one ring', |
---|
1083 | id=wxID_APPENDDZERO, kind=wx.ITEM_NORMAL,text='Append d-zero') |
---|
1084 | self.StrStaEdit.Append(help='Fit stress/strain data', |
---|
1085 | id=wxID_STRSTAFIT, kind=wx.ITEM_NORMAL,text='Fit stress/strain') |
---|
1086 | self.StrStaEdit.Append(help='Copy stress/strain data to other images', |
---|
1087 | id=wxID_STRSTACOPY, kind=wx.ITEM_NORMAL,text='Copy stress/strain') |
---|
1088 | self.StrStaEdit.Append(help='Save stress/strain data to file', |
---|
1089 | id=wxID_STRSTASAVE, kind=wx.ITEM_NORMAL,text='Save stress/strain') |
---|
1090 | self.StrStaEdit.Append(help='Load stress/strain data from file', |
---|
1091 | id=wxID_STRSTALOAD, kind=wx.ITEM_NORMAL,text='Load stress/strain') |
---|
1092 | self.PostfillDataMenu() |
---|
1093 | |
---|
1094 | # PDF / PDF Controls |
---|
1095 | self.PDFMenu = wx.MenuBar() |
---|
1096 | self.PrefillDataMenu(self.PDFMenu,helpType='PDF Controls') |
---|
1097 | self.PDFEdit = wx.Menu(title='') |
---|
1098 | self.PDFMenu.Append(menu=self.PDFEdit, title='PDF Controls') |
---|
1099 | self.PDFEdit.Append(help='Add element to sample composition',id=wxID_PDFADDELEMENT, kind=wx.ITEM_NORMAL, |
---|
1100 | text='Add element') |
---|
1101 | self.PDFEdit.Append(help='Delete element from sample composition',id=wxID_PDFDELELEMENT, kind=wx.ITEM_NORMAL, |
---|
1102 | text='Delete element') |
---|
1103 | self.PDFEdit.Append(help='Copy PDF controls', id=wxID_PDFCOPYCONTROLS, kind=wx.ITEM_NORMAL, |
---|
1104 | text='Copy controls') |
---|
1105 | # self.PDFEdit.Append(help='Load PDF controls from file',id=wxID_PDFLOADCONTROLS, kind=wx.ITEM_NORMAL, |
---|
1106 | # text='Load Controls') |
---|
1107 | # self.PDFEdit.Append(help='Save PDF controls to file', id=wxID_PDFSAVECONTROLS, kind=wx.ITEM_NORMAL, |
---|
1108 | # text='Save controls') |
---|
1109 | self.PDFEdit.Append(help='Compute PDF', id=wxID_PDFCOMPUTE, kind=wx.ITEM_NORMAL, |
---|
1110 | text='Compute PDF') |
---|
1111 | self.PDFEdit.Append(help='Compute all PDFs', id=wxID_PDFCOMPUTEALL, kind=wx.ITEM_NORMAL, |
---|
1112 | text='Compute all PDFs') |
---|
1113 | self.PostfillDataMenu() |
---|
1114 | |
---|
1115 | # Phase / General tab |
---|
1116 | self.DataGeneral = wx.MenuBar() |
---|
1117 | self.PrefillDataMenu(self.DataGeneral,helpType='General', helpLbl='Phase/General') |
---|
1118 | self.GeneralCalc = wx.Menu(title='') |
---|
1119 | self.DataGeneral.Append(menu=self.GeneralCalc,title='Compute') |
---|
1120 | self.GeneralCalc.Append(help='Compute Fourier map',id=wxID_FOURCALC, kind=wx.ITEM_NORMAL, |
---|
1121 | text='Fourier map') |
---|
1122 | self.GeneralCalc.Append(help='Search Fourier map',id=wxID_FOURSEARCH, kind=wx.ITEM_NORMAL, |
---|
1123 | text='Search map') |
---|
1124 | self.GeneralCalc.Append(help='Run charge flipping',id=wxID_CHARGEFLIP, kind=wx.ITEM_NORMAL, |
---|
1125 | text='Charge flipping') |
---|
1126 | self.GeneralCalc.Append(help='Clear map',id=wxID_FOURCLEAR, kind=wx.ITEM_NORMAL, |
---|
1127 | text='Clear map') |
---|
1128 | self.PostfillDataMenu() |
---|
1129 | |
---|
1130 | # Phase / Data tab |
---|
1131 | self.DataMenu = wx.MenuBar() |
---|
1132 | self.PrefillDataMenu(self.DataMenu,helpType='Data', helpLbl='Phase/Data') |
---|
1133 | self.DataEdit = wx.Menu(title='') |
---|
1134 | self.DataMenu.Append(menu=self.DataEdit, title='Edit') |
---|
1135 | self.DataEdit.Append(id=wxID_PWDRADD, kind=wx.ITEM_NORMAL,text='Add powder histograms', |
---|
1136 | help='Select new powder histograms to be used for this phase') |
---|
1137 | self.DataEdit.Append(id=wxID_HKLFADD, kind=wx.ITEM_NORMAL,text='Add single crystal histograms', |
---|
1138 | help='Select new single crystal histograms to be used for this phase') |
---|
1139 | self.DataEdit.Append(id=wxID_DATADELETE, kind=wx.ITEM_NORMAL,text='Delete histograms', |
---|
1140 | help='Delete histograms from use for this phase') |
---|
1141 | self.PostfillDataMenu() |
---|
1142 | |
---|
1143 | # Phase / Atoms tab |
---|
1144 | self.AtomsMenu = wx.MenuBar() |
---|
1145 | self.PrefillDataMenu(self.AtomsMenu,helpType='Atoms') |
---|
1146 | self.AtomEdit = wx.Menu(title='') |
---|
1147 | self.AtomCompute = wx.Menu(title='') |
---|
1148 | self.AtomsMenu.Append(menu=self.AtomEdit, title='Edit') |
---|
1149 | self.AtomsMenu.Append(menu=self.AtomCompute, title='Compute') |
---|
1150 | self.AtomEdit.Append(id=wxID_ATOMSEDITADD, kind=wx.ITEM_NORMAL,text='Append atom', |
---|
1151 | help='Appended as an H atom') |
---|
1152 | self.AtomEdit.Append(id=wxID_ATOMSVIEWADD, kind=wx.ITEM_NORMAL,text='Append view point', |
---|
1153 | help='Appended as an H atom') |
---|
1154 | self.AtomEdit.Append(id=wxID_RBAPPEND, kind=wx.ITEM_NORMAL,text='Append rigid body', |
---|
1155 | help='Append atoms for rigid body') |
---|
1156 | self.AtomEdit.Append(id=wxID_ATOMSEDITINSERT, kind=wx.ITEM_NORMAL,text='Insert atom', |
---|
1157 | help='Select atom row to insert before; inserted as an H atom') |
---|
1158 | self.AtomEdit.Append(id=wxID_ATOMVIEWINSERT, kind=wx.ITEM_NORMAL,text='Insert view point', |
---|
1159 | help='Select atom row to insert before; inserted as an H atom') |
---|
1160 | self.AtomEdit.Append(id=wxID_ATOMMOVE, kind=wx.ITEM_NORMAL,text='Move atom to view point', |
---|
1161 | help='Select single atom to move') |
---|
1162 | self.AtomEdit.Append(id=wxID_ATOMSEDITDELETE, kind=wx.ITEM_NORMAL,text='Delete atom', |
---|
1163 | help='Select atoms to delete first') |
---|
1164 | self.AtomEdit.Append(id=wxID_ATOMSREFINE, kind=wx.ITEM_NORMAL,text='Set atom refinement flags', |
---|
1165 | help='Select atoms to refine first') |
---|
1166 | self.AtomEdit.Append(id=wxID_ATOMSMODIFY, kind=wx.ITEM_NORMAL,text='Modify atom parameters', |
---|
1167 | help='Select atoms to modify first') |
---|
1168 | self.AtomEdit.Append(id=wxID_ATOMSTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms', |
---|
1169 | help='Select atoms to transform first') |
---|
1170 | self.AtomEdit.Append(id=wxID_RELOADDRAWATOMS, kind=wx.ITEM_NORMAL,text='Reload draw atoms', |
---|
1171 | help='Reload atom drawing list') |
---|
1172 | submenu = wx.Menu() |
---|
1173 | self.AtomEdit.AppendMenu(wx.ID_ANY, 'Reimport atoms', submenu, |
---|
1174 | help='Reimport atoms from file; sequence must match') |
---|
1175 | # setup a cascade menu for the formats that have been defined |
---|
1176 | self.ReImportMenuId = {} # points to readers for each menu entry |
---|
1177 | for reader in self.G2frame.ImportPhaseReaderlist: |
---|
1178 | item = submenu.Append( |
---|
1179 | wx.ID_ANY,help=reader.longFormatName, |
---|
1180 | kind=wx.ITEM_NORMAL,text='reimport coordinates from '+reader.formatName+' file') |
---|
1181 | self.ReImportMenuId[item.GetId()] = reader |
---|
1182 | item = submenu.Append( |
---|
1183 | wx.ID_ANY, |
---|
1184 | help='Reimport coordinates, try to determine format from file', |
---|
1185 | kind=wx.ITEM_NORMAL, |
---|
1186 | text='guess format from file') |
---|
1187 | self.ReImportMenuId[item.GetId()] = None # try all readers |
---|
1188 | |
---|
1189 | self.AtomCompute.Append(id=wxID_ATOMSDISAGL, kind=wx.ITEM_NORMAL,text='Distances && Angles', |
---|
1190 | help='Compute distances & angles for selected atoms') |
---|
1191 | self.PostfillDataMenu() |
---|
1192 | |
---|
1193 | # Phase / Draw Options tab |
---|
1194 | self.DataDrawOptions = wx.MenuBar() |
---|
1195 | self.PrefillDataMenu(self.DataDrawOptions,helpType='Draw Options', helpLbl='Phase/Draw Options',empty=True) |
---|
1196 | self.PostfillDataMenu(empty=True) |
---|
1197 | |
---|
1198 | # Phase / Draw Atoms tab |
---|
1199 | self.DrawAtomsMenu = wx.MenuBar() |
---|
1200 | self.PrefillDataMenu(self.DrawAtomsMenu,helpType='Draw Atoms') |
---|
1201 | self.DrawAtomEdit = wx.Menu(title='') |
---|
1202 | self.DrawAtomCompute = wx.Menu(title='') |
---|
1203 | self.DrawAtomRestraint = wx.Menu(title='') |
---|
1204 | self.DrawAtomRigidBody = wx.Menu(title='') |
---|
1205 | self.DrawAtomsMenu.Append(menu=self.DrawAtomEdit, title='Edit') |
---|
1206 | self.DrawAtomsMenu.Append(menu=self.DrawAtomCompute,title='Compute') |
---|
1207 | self.DrawAtomsMenu.Append(menu=self.DrawAtomRestraint, title='Restraints') |
---|
1208 | self.DrawAtomsMenu.Append(menu=self.DrawAtomRigidBody, title='Rigid body') |
---|
1209 | self.DrawAtomEdit.Append(id=wxID_DRAWATOMSTYLE, kind=wx.ITEM_NORMAL,text='Atom style', |
---|
1210 | help='Select atoms first') |
---|
1211 | self.DrawAtomEdit.Append(id=wxID_DRAWATOMLABEL, kind=wx.ITEM_NORMAL,text='Atom label', |
---|
1212 | help='Select atoms first') |
---|
1213 | self.DrawAtomEdit.Append(id=wxID_DRAWATOMCOLOR, kind=wx.ITEM_NORMAL,text='Atom color', |
---|
1214 | help='Select atoms first') |
---|
1215 | self.DrawAtomEdit.Append(id=wxID_DRAWATOMRESETCOLOR, kind=wx.ITEM_NORMAL,text='Reset atom colors', |
---|
1216 | help='Resets all atom colors to defaults') |
---|
1217 | self.DrawAtomEdit.Append(id=wxID_DRAWVIEWPOINT, kind=wx.ITEM_NORMAL,text='View point', |
---|
1218 | help='View point is 1st atom selected') |
---|
1219 | self.DrawAtomEdit.Append(id=wxID_DRAWADDEQUIV, kind=wx.ITEM_NORMAL,text='Add atoms', |
---|
1220 | help='Add symmetry & cell equivalents to drawing set from selected atoms') |
---|
1221 | self.DrawAtomEdit.Append(id=wxID_DRAWTRANSFORM, kind=wx.ITEM_NORMAL,text='Transform atoms', |
---|
1222 | help='Transform selected atoms by symmetry & cell translations') |
---|
1223 | self.DrawAtomEdit.Append(id=wxID_DRAWFILLCOORD, kind=wx.ITEM_NORMAL,text='Fill CN-sphere', |
---|
1224 | help='Fill coordination sphere for selected atoms') |
---|
1225 | self.DrawAtomEdit.Append(id=wxID_DRAWFILLCELL, kind=wx.ITEM_NORMAL,text='Fill unit cell', |
---|
1226 | help='Fill unit cell with selected atoms') |
---|
1227 | self.DrawAtomEdit.Append(id=wxID_DRAWDELETE, kind=wx.ITEM_NORMAL,text='Delete atoms', |
---|
1228 | help='Delete atoms from drawing set') |
---|
1229 | self.DrawAtomCompute.Append(id=wxID_DRAWDISTVP, kind=wx.ITEM_NORMAL,text='View pt. dist.', |
---|
1230 | help='Compute distance of selected atoms from view point') |
---|
1231 | self.DrawAtomCompute.Append(id=wxID_DRAWDISAGLTOR, kind=wx.ITEM_NORMAL,text='Dist. Ang. Tors.', |
---|
1232 | help='Compute distance, angle or torsion for 2-4 selected atoms') |
---|
1233 | self.DrawAtomCompute.Append(id=wxID_DRAWPLANE, kind=wx.ITEM_NORMAL,text='Best plane', |
---|
1234 | help='Compute best plane for 4+ selected atoms') |
---|
1235 | self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRBOND, kind=wx.ITEM_NORMAL,text='Add bond restraint', |
---|
1236 | help='Add bond restraint for selected atoms (2)') |
---|
1237 | self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRANGLE, kind=wx.ITEM_NORMAL,text='Add angle restraint', |
---|
1238 | help='Add angle restraint for selected atoms (3: one end 1st)') |
---|
1239 | self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRPLANE, kind=wx.ITEM_NORMAL,text='Add plane restraint', |
---|
1240 | help='Add plane restraint for selected atoms (4+)') |
---|
1241 | self.DrawAtomRestraint.Append(id=wxID_DRAWRESTRCHIRAL, kind=wx.ITEM_NORMAL,text='Add chiral restraint', |
---|
1242 | help='Add chiral restraint for selected atoms (4: center atom 1st)') |
---|
1243 | self.DrawAtomRigidBody.Append(id=wxID_DRAWDEFINERB, kind=wx.ITEM_NORMAL,text='Define rigid body', |
---|
1244 | help='Define rigid body with selected atoms') |
---|
1245 | self.PostfillDataMenu() |
---|
1246 | |
---|
1247 | # Phase / Texture tab |
---|
1248 | self.TextureMenu = wx.MenuBar() |
---|
1249 | self.PrefillDataMenu(self.TextureMenu,helpType='Texture') |
---|
1250 | self.TextureEdit = wx.Menu(title='') |
---|
1251 | self.TextureMenu.Append(menu=self.TextureEdit, title='Texture') |
---|
1252 | self.TextureEdit.Append(id=wxID_REFINETEXTURE, kind=wx.ITEM_NORMAL,text='Refine texture', |
---|
1253 | help='Refine the texture coefficients from sequential Pawley results') |
---|
1254 | self.TextureEdit.Append(id=wxID_CLEARTEXTURE, kind=wx.ITEM_NORMAL,text='Clear texture', |
---|
1255 | help='Clear the texture coefficients' ) |
---|
1256 | self.PostfillDataMenu() |
---|
1257 | |
---|
1258 | # Phase / Pawley tab |
---|
1259 | self.PawleyMenu = wx.MenuBar() |
---|
1260 | self.PrefillDataMenu(self.PawleyMenu,helpType='Pawley') |
---|
1261 | self.PawleyEdit = wx.Menu(title='') |
---|
1262 | self.PawleyMenu.Append(menu=self.PawleyEdit,title='Operations') |
---|
1263 | self.PawleyEdit.Append(id=wxID_PAWLEYLOAD, kind=wx.ITEM_NORMAL,text='Pawley create', |
---|
1264 | help='Initialize Pawley reflection list') |
---|
1265 | self.PawleyEdit.Append(id=wxID_PAWLEYESTIMATE, kind=wx.ITEM_NORMAL,text='Pawley estimate', |
---|
1266 | help='Estimate initial Pawley intensities') |
---|
1267 | self.PawleyEdit.Append(id=wxID_PAWLEYUPDATE, kind=wx.ITEM_NORMAL,text='Pawley update', |
---|
1268 | help='Update Pawley intensities with abs(Fobs) from reflection list') |
---|
1269 | # self.PawleyEdit.Append(id=wxID_PAWLEYDELETE, kind=wx.ITEM_NORMAL,text='Pawley delete', |
---|
1270 | # help='Delete selected Pawley reflection') |
---|
1271 | self.PostfillDataMenu() |
---|
1272 | |
---|
1273 | # Phase / Map peaks tab |
---|
1274 | self.MapPeaksMenu = wx.MenuBar() |
---|
1275 | self.PrefillDataMenu(self.MapPeaksMenu,helpType='Map peaks') |
---|
1276 | self.MapPeaksEdit = wx.Menu(title='') |
---|
1277 | self.MapPeaksMenu.Append(menu=self.MapPeaksEdit, title='Map peaks') |
---|
1278 | self.MapPeaksEdit.Append(id=wxID_PEAKSMOVE, kind=wx.ITEM_NORMAL,text='Move peaks', |
---|
1279 | help='Move selected peaks to atom list') |
---|
1280 | self.MapPeaksEdit.Append(id=wxID_PEAKSVIEWPT, kind=wx.ITEM_NORMAL,text='View point', |
---|
1281 | help='View point is 1st peak selected') |
---|
1282 | self.MapPeaksEdit.Append(id=wxID_PEAKSDISTVP, kind=wx.ITEM_NORMAL,text='View pt. dist.', |
---|
1283 | help='Compute distance of selected peaks from view point') |
---|
1284 | self.MapPeaksEdit.Append(id=wxID_SHOWBONDS, kind=wx.ITEM_NORMAL,text='Hide bonds', |
---|
1285 | help='Hide or show bonds between peak positions') |
---|
1286 | self.MapPeaksEdit.Append(id=wxID_PEAKSDA, kind=wx.ITEM_NORMAL,text='Calc dist/ang', |
---|
1287 | help='Calculate distance or angle for selection') |
---|
1288 | self.MapPeaksEdit.Append(id=wxID_FINDEQVPEAKS, kind=wx.ITEM_NORMAL,text='Equivalent peaks', |
---|
1289 | help='Find equivalent peaks') |
---|
1290 | self.MapPeaksEdit.Append(id=wxID_PEAKSUNIQUE, kind=wx.ITEM_NORMAL,text='Unique peaks', |
---|
1291 | help='Select unique set') |
---|
1292 | self.MapPeaksEdit.Append(id=wxID_PEAKSDELETE, kind=wx.ITEM_NORMAL,text='Delete peaks', |
---|
1293 | help='Delete selected peaks') |
---|
1294 | self.MapPeaksEdit.Append(id=wxID_PEAKSCLEAR, kind=wx.ITEM_NORMAL,text='Clear peaks', |
---|
1295 | help='Clear the map peak list') |
---|
1296 | self.PostfillDataMenu() |
---|
1297 | |
---|
1298 | # Phase / Rigid bodies tab |
---|
1299 | self.RigidBodiesMenu = wx.MenuBar() |
---|
1300 | self.PrefillDataMenu(self.RigidBodiesMenu,helpType='Rigid bodies') |
---|
1301 | self.RigidBodiesEdit = wx.Menu(title='') |
---|
1302 | self.RigidBodiesMenu.Append(menu=self.RigidBodiesEdit, title='Edit') |
---|
1303 | self.RigidBodiesEdit.Append(id=wxID_ASSIGNATMS2RB, kind=wx.ITEM_NORMAL,text='Assign atoms to rigid body', |
---|
1304 | help='Select & position rigid body in structure of existing atoms') |
---|
1305 | self.RigidBodiesEdit.Append(id=wxID_AUTOFINDRESRB, kind=wx.ITEM_NORMAL,text='Auto find residues', |
---|
1306 | help='Auto find of residue RBs in macromolecule') |
---|
1307 | self.RigidBodiesEdit.Append(id=wxID_COPYRBPARMS, kind=wx.ITEM_NORMAL,text='Copy rigid body parms', |
---|
1308 | help='Copy rigid body location & TLS parameters') |
---|
1309 | self.RigidBodiesEdit.Append(id=wxID_GLOBALRESREFINE, kind=wx.ITEM_NORMAL,text='Global residue refine', |
---|
1310 | help='Global setting of residue RB refinement flags') |
---|
1311 | self.RigidBodiesEdit.Append(id=wxID_RBREMOVEALL, kind=wx.ITEM_NORMAL,text='Remove all rigid bodies', |
---|
1312 | help='Remove all rigid body assignment for atoms') |
---|
1313 | self.PostfillDataMenu() |
---|
1314 | # end of GSAS-II menu definitions |
---|
1315 | |
---|
1316 | def _init_ctrls(self, parent,name=None,size=None,pos=None): |
---|
1317 | wx.Frame.__init__(self,parent=parent, |
---|
1318 | style=wx.DEFAULT_FRAME_STYLE ^ wx.CLOSE_BOX | wx.FRAME_FLOAT_ON_PARENT , |
---|
1319 | size=size,pos=pos,title='GSAS-II data display') |
---|
1320 | self._init_menus() |
---|
1321 | if name: |
---|
1322 | self.SetLabel(name) |
---|
1323 | self.Show() |
---|
1324 | |
---|
1325 | def __init__(self,parent,frame,data=None,name=None, size=None,pos=None): |
---|
1326 | self.G2frame = frame |
---|
1327 | self._init_ctrls(parent,name,size,pos) |
---|
1328 | self.data = data |
---|
1329 | clientSize = wx.ClientDisplayRect() |
---|
1330 | Size = self.GetSize() |
---|
1331 | xPos = clientSize[2]-Size[0] |
---|
1332 | self.SetPosition(wx.Point(xPos,clientSize[1]+250)) |
---|
1333 | self.AtomGrid = [] |
---|
1334 | self.selectedRow = 0 |
---|
1335 | |
---|
1336 | def setSizePosLeft(self,Width): |
---|
1337 | clientSize = wx.ClientDisplayRect() |
---|
1338 | Width[1] = min(Width[1],clientSize[2]-300) |
---|
1339 | Width[0] = max(Width[0],300) |
---|
1340 | self.SetSize(Width) |
---|
1341 | # self.SetPosition(wx.Point(clientSize[2]-Width[0],clientSize[1]+250)) |
---|
1342 | |
---|
1343 | def Clear(self): |
---|
1344 | self.ClearBackground() |
---|
1345 | self.DestroyChildren() |
---|
1346 | |
---|
1347 | ################################################################################ |
---|
1348 | ##### GSNotebook |
---|
1349 | ################################################################################ |
---|
1350 | |
---|
1351 | class GSNoteBook(wx.aui.AuiNotebook): |
---|
1352 | '''Notebook used in various locations; implemented with wx.aui extension |
---|
1353 | ''' |
---|
1354 | def __init__(self, parent, name='',size = None): |
---|
1355 | wx.aui.AuiNotebook.__init__(self, parent, -1, |
---|
1356 | style=wx.aui.AUI_NB_TOP | |
---|
1357 | wx.aui.AUI_NB_SCROLL_BUTTONS) |
---|
1358 | if size: self.SetSize(size) |
---|
1359 | |
---|
1360 | def Clear(self): |
---|
1361 | GSNoteBook.DeleteAllPages(self) |
---|
1362 | |
---|
1363 | def FindPage(self,name): |
---|
1364 | numPage = self.GetPageCount() |
---|
1365 | for page in range(numPage): |
---|
1366 | if self.GetPageText(page) == name: |
---|
1367 | return page |
---|
1368 | |
---|
1369 | def ChangeSelection(self,page): |
---|
1370 | # in the wx.Notebook ChangeSelection is like SetSelection, but it |
---|
1371 | # does not invoke the event related to pressing the tab button |
---|
1372 | # I don't see a way to do that in aui. |
---|
1373 | oldPage = self.GetSelection() |
---|
1374 | self.SetSelection(page) |
---|
1375 | return oldPage |
---|
1376 | |
---|
1377 | # def __getattribute__(self,name): |
---|
1378 | # '''This method provides a way to print out a message every time |
---|
1379 | # that a method in a class is called -- to see what all the calls |
---|
1380 | # might be, or where they might be coming from. |
---|
1381 | # Cute trick for debugging! |
---|
1382 | # ''' |
---|
1383 | # attr = object.__getattribute__(self, name) |
---|
1384 | # if hasattr(attr, '__call__'): |
---|
1385 | # def newfunc(*args, **kwargs): |
---|
1386 | # print('GSauiNoteBook calling %s' %attr.__name__) |
---|
1387 | # result = attr(*args, **kwargs) |
---|
1388 | # return result |
---|
1389 | # return newfunc |
---|
1390 | # else: |
---|
1391 | # return attr |
---|
1392 | |
---|
1393 | ################################################################################ |
---|
1394 | ##### GSGrid |
---|
1395 | ################################################################################ |
---|
1396 | |
---|
1397 | class GSGrid(wg.Grid): |
---|
1398 | '''Basic wx.Grid implementation |
---|
1399 | ''' |
---|
1400 | def __init__(self, parent, name=''): |
---|
1401 | wg.Grid.__init__(self,parent,-1,name=name) |
---|
1402 | #self.SetSize(parent.GetClientSize()) |
---|
1403 | # above removed to speed drawing of initial grid |
---|
1404 | # does not appear to be needed |
---|
1405 | |
---|
1406 | def Clear(self): |
---|
1407 | wg.Grid.ClearGrid(self) |
---|
1408 | |
---|
1409 | def SetCellStyle(self,r,c,color="white",readonly=True): |
---|
1410 | self.SetCellBackgroundColour(r,c,color) |
---|
1411 | self.SetReadOnly(r,c,isReadOnly=readonly) |
---|
1412 | |
---|
1413 | def GetSelection(self): |
---|
1414 | #this is to satisfy structure drawing stuff in G2plt when focus changes |
---|
1415 | return None |
---|
1416 | |
---|
1417 | ################################################################################ |
---|
1418 | ##### Table |
---|
1419 | ################################################################################ |
---|
1420 | |
---|
1421 | class Table(wg.PyGridTableBase): |
---|
1422 | '''Basic data table for use with GSgrid |
---|
1423 | ''' |
---|
1424 | def __init__(self, data=[], rowLabels=None, colLabels=None, types = None): |
---|
1425 | wg.PyGridTableBase.__init__(self) |
---|
1426 | self.colLabels = colLabels |
---|
1427 | self.rowLabels = rowLabels |
---|
1428 | self.dataTypes = types |
---|
1429 | self.data = data |
---|
1430 | |
---|
1431 | def AppendRows(self, numRows=1): |
---|
1432 | self.data.append([]) |
---|
1433 | return True |
---|
1434 | |
---|
1435 | def CanGetValueAs(self, row, col, typeName): |
---|
1436 | if self.dataTypes: |
---|
1437 | colType = self.dataTypes[col].split(':')[0] |
---|
1438 | if typeName == colType: |
---|
1439 | return True |
---|
1440 | else: |
---|
1441 | return False |
---|
1442 | else: |
---|
1443 | return False |
---|
1444 | |
---|
1445 | def CanSetValueAs(self, row, col, typeName): |
---|
1446 | return self.CanGetValueAs(row, col, typeName) |
---|
1447 | |
---|
1448 | def DeleteRow(self,pos): |
---|
1449 | data = self.GetData() |
---|
1450 | self.SetData([]) |
---|
1451 | new = [] |
---|
1452 | for irow,row in enumerate(data): |
---|
1453 | if irow <> pos: |
---|
1454 | new.append(row) |
---|
1455 | self.SetData(new) |
---|
1456 | |
---|
1457 | def GetColLabelValue(self, col): |
---|
1458 | if self.colLabels: |
---|
1459 | return self.colLabels[col] |
---|
1460 | |
---|
1461 | def GetData(self): |
---|
1462 | data = [] |
---|
1463 | for row in range(self.GetNumberRows()): |
---|
1464 | data.append(self.GetRowValues(row)) |
---|
1465 | return data |
---|
1466 | |
---|
1467 | def GetNumberCols(self): |
---|
1468 | try: |
---|
1469 | return len(self.colLabels) |
---|
1470 | except TypeError: |
---|
1471 | return None |
---|
1472 | |
---|
1473 | def GetNumberRows(self): |
---|
1474 | return len(self.data) |
---|
1475 | |
---|
1476 | def GetRowLabelValue(self, row): |
---|
1477 | if self.rowLabels: |
---|
1478 | return self.rowLabels[row] |
---|
1479 | |
---|
1480 | def GetColValues(self, col): |
---|
1481 | data = [] |
---|
1482 | for row in range(self.GetNumberRows()): |
---|
1483 | data.append(self.GetValue(row, col)) |
---|
1484 | return data |
---|
1485 | |
---|
1486 | def GetRowValues(self, row): |
---|
1487 | data = [] |
---|
1488 | for col in range(self.GetNumberCols()): |
---|
1489 | data.append(self.GetValue(row, col)) |
---|
1490 | return data |
---|
1491 | |
---|
1492 | def GetTypeName(self, row, col): |
---|
1493 | try: |
---|
1494 | return self.dataTypes[col] |
---|
1495 | except TypeError: |
---|
1496 | return None |
---|
1497 | |
---|
1498 | def GetValue(self, row, col): |
---|
1499 | try: |
---|
1500 | return self.data[row][col] |
---|
1501 | except IndexError: |
---|
1502 | return None |
---|
1503 | |
---|
1504 | def InsertRows(self, pos, rows): |
---|
1505 | for row in range(rows): |
---|
1506 | self.data.insert(pos,[]) |
---|
1507 | pos += 1 |
---|
1508 | |
---|
1509 | def IsEmptyCell(self,row,col): |
---|
1510 | try: |
---|
1511 | return not self.data[row][col] |
---|
1512 | except IndexError: |
---|
1513 | return True |
---|
1514 | |
---|
1515 | def OnKeyPress(self, event): |
---|
1516 | dellist = self.GetSelectedRows() |
---|
1517 | if event.GetKeyCode() == wx.WXK_DELETE and dellist: |
---|
1518 | grid = self.GetView() |
---|
1519 | for i in dellist: grid.DeleteRow(i) |
---|
1520 | |
---|
1521 | def SetColLabelValue(self, col, label): |
---|
1522 | numcols = self.GetNumberCols() |
---|
1523 | if col > numcols-1: |
---|
1524 | self.colLabels.append(label) |
---|
1525 | else: |
---|
1526 | self.colLabels[col]=label |
---|
1527 | |
---|
1528 | def SetData(self,data): |
---|
1529 | for row in range(len(data)): |
---|
1530 | self.SetRowValues(row,data[row]) |
---|
1531 | |
---|
1532 | def SetRowLabelValue(self, row, label): |
---|
1533 | self.rowLabels[row]=label |
---|
1534 | |
---|
1535 | def SetRowValues(self,row,data): |
---|
1536 | self.data[row] = data |
---|
1537 | |
---|
1538 | def SetValue(self, row, col, value): |
---|
1539 | def innerSetValue(row, col, value): |
---|
1540 | try: |
---|
1541 | self.data[row][col] = value |
---|
1542 | except TypeError: |
---|
1543 | return |
---|
1544 | except IndexError: |
---|
1545 | print row,col,value |
---|
1546 | # add a new row |
---|
1547 | if row > self.GetNumberRows(): |
---|
1548 | self.data.append([''] * self.GetNumberCols()) |
---|
1549 | elif col > self.GetNumberCols(): |
---|
1550 | for row in range(self.GetNumberRows): |
---|
1551 | self.data[row].append('') |
---|
1552 | print self.data |
---|
1553 | self.data[row][col] = value |
---|
1554 | innerSetValue(row, col, value) |
---|
1555 | |
---|
1556 | ################################################################################ |
---|
1557 | #### Help |
---|
1558 | ################################################################################ |
---|
1559 | |
---|
1560 | def ShowHelp(helpType,frame): |
---|
1561 | '''Called to bring up a web page for documentation.''' |
---|
1562 | global htmlFirstUse |
---|
1563 | # look up a definition for help info from dict |
---|
1564 | helplink = helpLocDict.get(helpType) |
---|
1565 | if helplink is None: |
---|
1566 | # no defined link to use, create a default based on key |
---|
1567 | helplink = 'gsasII.html#'+helpType.replace(' ','_') |
---|
1568 | helplink = os.path.join(path2GSAS2,'help',helplink) |
---|
1569 | if helpMode == 'internal': |
---|
1570 | try: |
---|
1571 | htmlPanel.LoadFile(helplink) |
---|
1572 | htmlFrame.Raise() |
---|
1573 | except: |
---|
1574 | htmlFrame = wx.Frame(frame, -1, size=(610, 510)) |
---|
1575 | htmlFrame.Show(True) |
---|
1576 | htmlFrame.SetTitle("HTML Window") # N.B. reset later in LoadFile |
---|
1577 | htmlPanel = MyHtmlPanel(htmlFrame,-1) |
---|
1578 | htmlPanel.LoadFile(helplink) |
---|
1579 | else: |
---|
1580 | pfx = "file://" |
---|
1581 | if sys.platform.lower().startswith('win'): |
---|
1582 | pfx = '' |
---|
1583 | if htmlFirstUse: |
---|
1584 | webbrowser.open_new(pfx+helplink) |
---|
1585 | htmlFirstUse = False |
---|
1586 | else: |
---|
1587 | webbrowser.open(pfx+helplink, new=0, autoraise=True) |
---|
1588 | |
---|
1589 | ################################################################################ |
---|
1590 | ##### Notebook |
---|
1591 | ################################################################################ |
---|
1592 | |
---|
1593 | def UpdateNotebook(G2frame,data): |
---|
1594 | '''Called when the data tree notebook entry is selected. Allows for |
---|
1595 | editing of the text in that tree entry |
---|
1596 | ''' |
---|
1597 | def OnNoteBook(event): |
---|
1598 | data = G2frame.dataDisplay.GetValue() |
---|
1599 | G2frame.PatternTree.SetItemPyData(GetPatternTreeItemId(G2frame,G2frame.root,'Notebook'),data) |
---|
1600 | |
---|
1601 | if G2frame.dataDisplay: |
---|
1602 | G2frame.dataDisplay.Destroy() |
---|
1603 | G2frame.dataFrame.SetLabel('Notebook') |
---|
1604 | G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(), |
---|
1605 | style=wx.TE_MULTILINE|wx.TE_PROCESS_ENTER | wx.TE_DONTWRAP) |
---|
1606 | G2frame.dataDisplay.Bind(wx.EVT_TEXT_ENTER,OnNoteBook) |
---|
1607 | G2frame.dataDisplay.Bind(wx.EVT_KILL_FOCUS,OnNoteBook) |
---|
1608 | for line in data: |
---|
1609 | G2frame.dataDisplay.AppendText(line+"\n") |
---|
1610 | G2frame.dataDisplay.AppendText('Notebook entry @ '+time.ctime()+"\n") |
---|
1611 | G2frame.dataFrame.setSizePosLeft([400,250]) |
---|
1612 | |
---|
1613 | ################################################################################ |
---|
1614 | ##### Controls |
---|
1615 | ################################################################################ |
---|
1616 | |
---|
1617 | def UpdateControls(G2frame,data): |
---|
1618 | '''Edit overall GSAS-II controls in main Controls data tree entry |
---|
1619 | ''' |
---|
1620 | #patch |
---|
1621 | if 'deriv type' not in data: |
---|
1622 | data = {} |
---|
1623 | data['deriv type'] = 'analytic Hessian' |
---|
1624 | data['min dM/M'] = 0.0001 |
---|
1625 | data['shift factor'] = 1. |
---|
1626 | data['max cyc'] = 3 |
---|
1627 | data['F**2'] = True |
---|
1628 | data['minF/sig'] = 0 |
---|
1629 | if 'shift factor' not in data: |
---|
1630 | data['shift factor'] = 1. |
---|
1631 | if 'max cyc' not in data: |
---|
1632 | data['max cyc'] = 3 |
---|
1633 | if 'F**2' not in data: |
---|
1634 | data['F**2'] = True |
---|
1635 | data['minF/sig'] = 0 |
---|
1636 | #end patch |
---|
1637 | |
---|
1638 | def SeqSizer(): |
---|
1639 | |
---|
1640 | def OnSelectData(event): |
---|
1641 | choices = ['All',]+GetPatternTreeDataNames(G2frame,['PWDR',]) |
---|
1642 | sel = [] |
---|
1643 | if 'Seq Data' in data: |
---|
1644 | for item in data['Seq Data']: |
---|
1645 | sel.append(choices.index(item)) |
---|
1646 | names = [] |
---|
1647 | dlg = wx.MultiChoiceDialog(G2frame,'Select data:','Sequential refinement',choices) |
---|
1648 | dlg.SetSelections(sel) |
---|
1649 | if dlg.ShowModal() == wx.ID_OK: |
---|
1650 | sel = dlg.GetSelections() |
---|
1651 | for i in sel: names.append(choices[i]) |
---|
1652 | if 'All' in names: |
---|
1653 | names = choices[1:] |
---|
1654 | data['Seq Data'] = names |
---|
1655 | dlg.Destroy() |
---|
1656 | reverseSel.Enable(True) |
---|
1657 | |
---|
1658 | def OnReverse(event): |
---|
1659 | data['Reverse Seq'] = reverseSel.GetValue() |
---|
1660 | |
---|
1661 | seqSizer = wx.BoxSizer(wx.HORIZONTAL) |
---|
1662 | seqSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Sequential Refinement Powder Data: '),0,wx.ALIGN_CENTER_VERTICAL) |
---|
1663 | selSeqData = wx.Button(G2frame.dataDisplay,-1,label=' Select data') |
---|
1664 | selSeqData.Bind(wx.EVT_BUTTON,OnSelectData) |
---|
1665 | seqSizer.Add(selSeqData,0,wx.ALIGN_CENTER_VERTICAL) |
---|
1666 | seqSizer.Add((5,0),0) |
---|
1667 | reverseSel = wx.CheckBox(G2frame.dataDisplay,-1,label=' Reverse order?') |
---|
1668 | reverseSel.Bind(wx.EVT_CHECKBOX,OnReverse) |
---|
1669 | if 'Seq Data' not in data: |
---|
1670 | reverseSel.Enable(False) |
---|
1671 | if 'Reverse Seq' in data: |
---|
1672 | reverseSel.SetValue(data['Reverse Seq']) |
---|
1673 | seqSizer.Add(reverseSel,0,wx.ALIGN_CENTER_VERTICAL) |
---|
1674 | return seqSizer |
---|
1675 | |
---|
1676 | def LSSizer(): |
---|
1677 | |
---|
1678 | def OnDerivType(event): |
---|
1679 | data['deriv type'] = derivSel.GetValue() |
---|
1680 | derivSel.SetValue(data['deriv type']) |
---|
1681 | wx.CallAfter(UpdateControls,G2frame,data) |
---|
1682 | |
---|
1683 | def OnConvergence(event): |
---|
1684 | try: |
---|
1685 | value = max(1.e-9,min(1.0,float(Cnvrg.GetValue()))) |
---|
1686 | except ValueError: |
---|
1687 | value = 0.0001 |
---|
1688 | data['min dM/M'] = value |
---|
1689 | Cnvrg.SetValue('%.2g'%(value)) |
---|
1690 | |
---|
1691 | def OnMaxCycles(event): |
---|
1692 | data['max cyc'] = int(maxCyc.GetValue()) |
---|
1693 | maxCyc.SetValue(str(data['max cyc'])) |
---|
1694 | |
---|
1695 | def OnFactor(event): |
---|
1696 | try: |
---|
1697 | value = min(max(float(Factr.GetValue()),0.00001),100.) |
---|
1698 | except ValueError: |
---|
1699 | value = 1.0 |
---|
1700 | data['shift factor'] = value |
---|
1701 | Factr.SetValue('%.5f'%(value)) |
---|
1702 | |
---|
1703 | def OnFsqRef(event): |
---|
1704 | data['F**2'] = fsqRef.GetValue() |
---|
1705 | |
---|
1706 | def OnMinSig(event): |
---|
1707 | try: |
---|
1708 | value = min(max(float(minSig.GetValue()),0.),5.) |
---|
1709 | except ValueError: |
---|
1710 | value = 1.0 |
---|
1711 | data['minF/sig'] = value |
---|
1712 | minSig.SetValue('%.2f'%(value)) |
---|
1713 | |
---|
1714 | LSSizer = wx.FlexGridSizer(cols=4,vgap=5,hgap=5) |
---|
1715 | LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Refinement derivatives: '),0,wx.ALIGN_CENTER_VERTICAL) |
---|
1716 | Choice=['analytic Jacobian','numeric','analytic Hessian'] |
---|
1717 | derivSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['deriv type'],choices=Choice, |
---|
1718 | style=wx.CB_READONLY|wx.CB_DROPDOWN) |
---|
1719 | derivSel.SetValue(data['deriv type']) |
---|
1720 | derivSel.Bind(wx.EVT_COMBOBOX, OnDerivType) |
---|
1721 | |
---|
1722 | LSSizer.Add(derivSel,0,wx.ALIGN_CENTER_VERTICAL) |
---|
1723 | LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Min delta-M/M: '),0,wx.ALIGN_CENTER_VERTICAL) |
---|
1724 | Cnvrg = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.2g'%(data['min dM/M']),style=wx.TE_PROCESS_ENTER) |
---|
1725 | Cnvrg.Bind(wx.EVT_TEXT_ENTER,OnConvergence) |
---|
1726 | Cnvrg.Bind(wx.EVT_KILL_FOCUS,OnConvergence) |
---|
1727 | LSSizer.Add(Cnvrg,0,wx.ALIGN_CENTER_VERTICAL) |
---|
1728 | if 'Hessian' in data['deriv type']: |
---|
1729 | LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Max cycles: '),0,wx.ALIGN_CENTER_VERTICAL) |
---|
1730 | Choice = ['0','1','2','3','5','10','15','20'] |
---|
1731 | maxCyc = wx.ComboBox(parent=G2frame.dataDisplay,value=str(data['max cyc']),choices=Choice, |
---|
1732 | style=wx.CB_READONLY|wx.CB_DROPDOWN) |
---|
1733 | maxCyc.SetValue(str(data['max cyc'])) |
---|
1734 | maxCyc.Bind(wx.EVT_COMBOBOX, OnMaxCycles) |
---|
1735 | LSSizer.Add(maxCyc,0,wx.ALIGN_CENTER_VERTICAL) |
---|
1736 | else: |
---|
1737 | LSSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Initial shift factor: '),0,wx.ALIGN_CENTER_VERTICAL) |
---|
1738 | Factr = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.5f'%(data['shift factor']),style=wx.TE_PROCESS_ENTER) |
---|
1739 | Factr.Bind(wx.EVT_TEXT_ENTER,OnFactor) |
---|
1740 | Factr.Bind(wx.EVT_KILL_FOCUS,OnFactor) |
---|
1741 | LSSizer.Add(Factr,0,wx.ALIGN_CENTER_VERTICAL) |
---|
1742 | if G2frame.Sngl: |
---|
1743 | LSSizer.Add((1,0),) |
---|
1744 | LSSizer.Add((1,0),) |
---|
1745 | fsqRef = wx.CheckBox(G2frame.dataDisplay,-1,label='Refine HKLF as F^2? ') |
---|
1746 | fsqRef.SetValue(data['F**2']) |
---|
1747 | fsqRef.Bind(wx.EVT_CHECKBOX,OnFsqRef) |
---|
1748 | LSSizer.Add(fsqRef,0,wx.ALIGN_CENTER_VERTICAL) |
---|
1749 | LSSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,label='Min obs/sig (0-5): '),0,wx.ALIGN_CENTER_VERTICAL) |
---|
1750 | minSig = wx.TextCtrl(G2frame.dataDisplay,-1,value='%.2f'%(data['minF/sig']),style=wx.TE_PROCESS_ENTER) |
---|
1751 | minSig.Bind(wx.EVT_TEXT_ENTER,OnMinSig) |
---|
1752 | minSig.Bind(wx.EVT_KILL_FOCUS,OnMinSig) |
---|
1753 | LSSizer.Add(minSig,0,wx.ALIGN_CENTER_VERTICAL) |
---|
1754 | return LSSizer |
---|
1755 | |
---|
1756 | if G2frame.dataDisplay: |
---|
1757 | G2frame.dataDisplay.Destroy() |
---|
1758 | if not G2frame.dataFrame.GetStatusBar(): |
---|
1759 | Status = G2frame.dataFrame.CreateStatusBar() |
---|
1760 | Status.SetStatusText('') |
---|
1761 | G2frame.dataFrame.SetLabel('Controls') |
---|
1762 | G2frame.dataDisplay = wx.Panel(G2frame.dataFrame) |
---|
1763 | SetDataMenuBar(G2frame,G2frame.dataFrame.ControlsMenu) |
---|
1764 | mainSizer = wx.BoxSizer(wx.VERTICAL) |
---|
1765 | mainSizer.Add((5,5),0) |
---|
1766 | mainSizer.Add(wx.StaticText(G2frame.dataDisplay,label=' Refinement Controls:'),0,wx.ALIGN_CENTER_VERTICAL) |
---|
1767 | mainSizer.Add(LSSizer()) |
---|
1768 | mainSizer.Add((5,5),0) |
---|
1769 | mainSizer.Add(SeqSizer()) |
---|
1770 | mainSizer.Add((5,5),0) |
---|
1771 | |
---|
1772 | mainSizer.Layout() |
---|
1773 | G2frame.dataDisplay.SetSizer(mainSizer) |
---|
1774 | G2frame.dataDisplay.SetSize(mainSizer.Fit(G2frame.dataFrame)) |
---|
1775 | G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame)) |
---|
1776 | |
---|
1777 | ################################################################################ |
---|
1778 | ##### Comments |
---|
1779 | ################################################################################ |
---|
1780 | |
---|
1781 | def UpdateComments(G2frame,data): |
---|
1782 | |
---|
1783 | if G2frame.dataDisplay: |
---|
1784 | G2frame.dataDisplay.Destroy() |
---|
1785 | G2frame.dataFrame.SetLabel('Comments') |
---|
1786 | G2frame.dataDisplay = wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(), |
---|
1787 | style=wx.TE_MULTILINE|wx.TE_READONLY|wx.TE_DONTWRAP) |
---|
1788 | for line in data: |
---|
1789 | G2frame.dataDisplay.AppendText(line+'\n') |
---|
1790 | G2frame.dataFrame.setSizePosLeft([400,250]) |
---|
1791 | |
---|
1792 | ################################################################################ |
---|
1793 | ##### Sequential Results |
---|
1794 | ################################################################################ |
---|
1795 | |
---|
1796 | def UpdateSeqResults(G2frame,data): |
---|
1797 | """ |
---|
1798 | Called when the Sequential Results data tree entry is selected |
---|
1799 | to show results from a sequential refinement. |
---|
1800 | |
---|
1801 | :param wx.Frame G2frame: main GSAS-II data tree windows |
---|
1802 | |
---|
1803 | :param dict data: a dictionary containing the following items: |
---|
1804 | |
---|
1805 | * 'histNames' - list of histogram names in order as processed by Sequential Refinement |
---|
1806 | * 'varyList' - list of variables - identical over all refinements in sequence |
---|
1807 | * 'histName' - dictionaries for all data sets processed, which contains: |
---|
1808 | |
---|
1809 | * 'variables'- result[0] from leastsq call |
---|
1810 | * 'varyList' - list of variables; same as above |
---|
1811 | * 'sig' - esds for variables |
---|
1812 | * 'covMatrix' - covariance matrix from individual refinement |
---|
1813 | * 'title' - histogram name; same as dict item name |
---|
1814 | * 'newAtomDict' - new atom parameters after shifts applied |
---|
1815 | * 'newCellDict' - new cell parameters after shifts to A0-A5 applied' |
---|
1816 | """ |
---|
1817 | if not data: |
---|
1818 | print 'No sequential refinement results' |
---|
1819 | return |
---|
1820 | histNames = data['histNames'] |
---|
1821 | |
---|
1822 | def GetSampleParms(): |
---|
1823 | sampleParmDict = {'Temperature':[],'Pressure':[],'Humidity':[],'Voltage':[],'Force':[],} |
---|
1824 | sampleParm = {} |
---|
1825 | for name in histNames: |
---|
1826 | Id = GetPatternTreeItemId(G2frame,G2frame.root,name) |
---|
1827 | sampleData = G2frame.PatternTree.GetItemPyData(GetPatternTreeItemId(G2frame,Id,'Sample Parameters')) |
---|
1828 | for item in sampleParmDict: |
---|
1829 | sampleParmDict[item].append(sampleData[item]) |
---|
1830 | for item in sampleParmDict: |
---|
1831 | frstValue = sampleParmDict[item][0] |
---|
1832 | if np.any(np.array(sampleParmDict[item])-frstValue): |
---|
1833 | sampleParm[item] = sampleParmDict[item] |
---|
1834 | return sampleParm |
---|
1835 | |
---|
1836 | def GetRwps(): |
---|
1837 | Rwps = [] |
---|
1838 | for name in histNames: |
---|
1839 | Rwps.append(data[name]['Rvals']['Rwp']) |
---|
1840 | return Rwps |
---|
1841 | |
---|
1842 | def GetSigData(parm): |
---|
1843 | sigData = [] |
---|
1844 | for name in histNames: |
---|
1845 | sigList = data[name]['sig'] |
---|
1846 | if colLabels[parm] in atomList: |
---|
1847 | sigData.append(sigList[colLabels.index(atomList[colLabels[parm]])-1]) |
---|
1848 | elif colLabels[parm] in cellList: |
---|
1849 | sigData.append(sigList[colLabels.index(cellList[colLabels[parm]])-1]) |
---|
1850 | else: |
---|
1851 | sigData.append(sigList[parm-1]) |
---|
1852 | return sigData |
---|
1853 | |
---|
1854 | def Select(event): |
---|
1855 | cols = G2frame.dataDisplay.GetSelectedCols() |
---|
1856 | rows = G2frame.dataDisplay.GetSelectedRows() |
---|
1857 | if cols: |
---|
1858 | plotData = [] |
---|
1859 | plotSig = [] |
---|
1860 | plotNames = [] |
---|
1861 | for col in cols: |
---|
1862 | plotData.append(G2frame.SeqTable.GetColValues(col)) |
---|
1863 | if col: #not Rwp |
---|
1864 | plotSig.append(GetSigData(col)) |
---|
1865 | else: |
---|
1866 | plotSig.append(0.0) |
---|
1867 | plotNames.append(G2frame.SeqTable.GetColLabelValue(col)) |
---|
1868 | plotData = np.array(plotData) |
---|
1869 | G2plt.PlotSeq(G2frame,plotData,plotSig,plotNames,sampleParms) |
---|
1870 | elif rows: |
---|
1871 | name = histNames[rows[0]] #only does 1st one selected |
---|
1872 | G2plt.PlotCovariance(G2frame,data[name]) |
---|
1873 | |
---|
1874 | def OnSaveSelSeq(event): |
---|
1875 | cols = G2frame.dataDisplay.GetSelectedCols() |
---|
1876 | if cols: |
---|
1877 | numRows = G2frame.SeqTable.GetNumberRows() |
---|
1878 | dataNames = [] |
---|
1879 | saveNames = [G2frame.SeqTable.GetRowLabelValue(r) for r in range(numRows)] |
---|
1880 | saveData = [] |
---|
1881 | for col in cols: |
---|
1882 | dataNames.append(G2frame.SeqTable.GetColLabelValue(col)) |
---|
1883 | if col: #not Rwp |
---|
1884 | saveData.append(zip(G2frame.SeqTable.GetColValues(col),GetSigData(col))) |
---|
1885 | else: |
---|
1886 | saveData.append(zip(G2frame.SeqTable.GetColValues(col),0.0)) |
---|
1887 | lenName = len(saveNames[0]) |
---|
1888 | saveData = np.swapaxes(np.array(saveData),0,1) |
---|
1889 | dlg = wx.FileDialog(G2frame, 'Choose text output file for your selection', '.', '', |
---|
1890 | 'Text output file (*.txt)|*.txt',wx.FD_SAVE|wx.FD_OVERWRITE_PROMPT|wx.CHANGE_DIR) |
---|
1891 | try: |
---|
1892 | if dlg.ShowModal() == wx.ID_OK: |
---|
1893 | SeqTextFile = dlg.GetPath() |
---|
1894 | SeqTextFile = G2IO.FileDlgFixExt(dlg,SeqTextFile) |
---|
1895 | SeqFile = open(SeqTextFile,'w') |
---|
1896 | line = ' %s '%('name'.center(lenName)) |
---|
1897 | for item in dataNames: |
---|
1898 | line += ' %12s %12s '%(item.center(12),'esd'.center(12)) |
---|
1899 | line += '\n' |
---|
1900 | SeqFile.write(line) |
---|
1901 | for i,item in enumerate(saveData): |
---|
1902 | line = " '%s' "%(saveNames[i]) |
---|
1903 | for val,esd in item: |
---|
1904 | line += ' %12.6f %12.6f '%(val,esd) |
---|
1905 | line += '\n' |
---|
1906 | SeqFile.write(line) |
---|
1907 | SeqFile.close() |
---|
1908 | finally: |
---|
1909 | dlg.Destroy() |
---|
1910 | |
---|
1911 | |
---|
1912 | if G2frame.dataDisplay: |
---|
1913 | G2frame.dataDisplay.Destroy() |
---|
1914 | atomList = {} |
---|
1915 | newAtomDict = data[histNames[0]]['newAtomDict'] |
---|
1916 | for item in newAtomDict: |
---|
1917 | if item in data['varyList']: |
---|
1918 | atomList[newAtomDict[item][0]] = item |
---|
1919 | cellList = {} |
---|
1920 | newCellDict = data[histNames[0]]['newCellDict'] |
---|
1921 | for item in newCellDict: |
---|
1922 | if item in data['varyList']: |
---|
1923 | cellList[newCellDict[item][0]] = item |
---|
1924 | sampleParms = GetSampleParms() |
---|
1925 | Rwps = GetRwps() |
---|
1926 | SetDataMenuBar(G2frame,G2frame.dataFrame.SequentialMenu) |
---|
1927 | G2frame.dataFrame.SetLabel('Sequential refinement results') |
---|
1928 | G2frame.dataFrame.CreateStatusBar() |
---|
1929 | G2frame.dataFrame.Bind(wx.EVT_MENU, OnSaveSelSeq, id=wxID_SAVESEQSEL) |
---|
1930 | colLabels = ['Rwp',]+data['varyList']+atomList.keys()+cellList.keys() |
---|
1931 | Types = (len(data['varyList']+atomList.keys()+cellList.keys())+1)*[wg.GRID_VALUE_FLOAT,] |
---|
1932 | seqList = [[Rwps[i],]+list(data[name]['variables']) for i,name in enumerate(histNames)] |
---|
1933 | for i,item in enumerate(seqList): |
---|
1934 | newAtomDict = data[histNames[i]]['newAtomDict'] |
---|
1935 | newCellDict = data[histNames[i]]['newCellDict'] |
---|
1936 | item += [newAtomDict[atomList[parm]][1] for parm in atomList.keys()] |
---|
1937 | item += [newCellDict[cellList[parm]][1] for parm in cellList.keys()] |
---|
1938 | G2frame.SeqTable = Table(seqList,colLabels=colLabels,rowLabels=histNames,types=Types) |
---|
1939 | G2frame.dataDisplay = GSGrid(parent=G2frame.dataFrame) |
---|
1940 | G2frame.dataDisplay.SetTable(G2frame.SeqTable, True) |
---|
1941 | G2frame.dataDisplay.EnableEditing(False) |
---|
1942 | G2frame.dataDisplay.Bind(wg.EVT_GRID_LABEL_LEFT_DCLICK, Select) |
---|
1943 | G2frame.dataDisplay.SetRowLabelSize(8*len(histNames[0])) #pretty arbitrary 8 |
---|
1944 | G2frame.dataDisplay.SetMargins(0,0) |
---|
1945 | G2frame.dataDisplay.AutoSizeColumns(True) |
---|
1946 | G2frame.dataFrame.setSizePosLeft([700,350]) |
---|
1947 | |
---|
1948 | ################################################################################ |
---|
1949 | ##### Main PWDR panel |
---|
1950 | ################################################################################ |
---|
1951 | |
---|
1952 | def UpdatePWHKPlot(G2frame,kind,item): |
---|
1953 | '''Needs a doc string |
---|
1954 | ''' |
---|
1955 | |
---|
1956 | def OnErrorAnalysis(event): |
---|
1957 | G2plt.PlotDeltSig(G2frame,kind) |
---|
1958 | |
---|
1959 | def OnWtFactor(event): |
---|
1960 | try: |
---|
1961 | val = float(wtval.GetValue()) |
---|
1962 | except ValueError: |
---|
1963 | val = data[0]['wtFactor'] |
---|
1964 | data[0]['wtFactor'] = val |
---|
1965 | wtval.SetValue('%.3f'%(val)) |
---|
1966 | |
---|
1967 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
1968 | if 'wtFactor' not in data[0]: |
---|
1969 | data[0] = {'wtFactor':1.0} |
---|
1970 | if G2frame.dataDisplay: |
---|
1971 | G2frame.dataDisplay.Destroy() |
---|
1972 | SetDataMenuBar(G2frame,G2frame.dataFrame.ErrorMenu) |
---|
1973 | G2frame.dataFrame.Bind(wx.EVT_MENU,OnErrorAnalysis, id=wxID_PWDANALYSIS) |
---|
1974 | G2frame.dataDisplay = wx.Panel(G2frame.dataFrame) |
---|
1975 | |
---|
1976 | mainSizer = wx.BoxSizer(wx.VERTICAL) |
---|
1977 | mainSizer.Add((5,5),) |
---|
1978 | wtSizer = wx.BoxSizer(wx.HORIZONTAL) |
---|
1979 | wtSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,' Weight factor: '),0,wx.ALIGN_CENTER_VERTICAL) |
---|
1980 | wtval = wx.TextCtrl(G2frame.dataDisplay,-1,'%.3f'%(data[0]['wtFactor']),style=wx.TE_PROCESS_ENTER) |
---|
1981 | wtval.Bind(wx.EVT_TEXT_ENTER,OnWtFactor) |
---|
1982 | wtval.Bind(wx.EVT_KILL_FOCUS,OnWtFactor) |
---|
1983 | wtSizer.Add(wtval,0,wx.ALIGN_CENTER_VERTICAL) |
---|
1984 | mainSizer.Add(wtSizer) |
---|
1985 | mainSizer.Layout() |
---|
1986 | G2frame.dataDisplay.SetSizer(mainSizer) |
---|
1987 | G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame)) |
---|
1988 | G2frame.PatternTree.SetItemPyData(item,data) |
---|
1989 | if kind == 'PWDR': |
---|
1990 | G2plt.PlotPatterns(G2frame,newPlot=True) |
---|
1991 | elif kind == 'HKLF': |
---|
1992 | G2plt.PlotSngl(G2frame,newPlot=True) |
---|
1993 | |
---|
1994 | ################################################################################ |
---|
1995 | ##### HKLF controls |
---|
1996 | ################################################################################ |
---|
1997 | |
---|
1998 | def UpdateHKLControls(G2frame,data): |
---|
1999 | '''Needs a doc string |
---|
2000 | ''' |
---|
2001 | |
---|
2002 | def OnScaleSlider(event): |
---|
2003 | scale = int(scaleSel.GetValue())/1000. |
---|
2004 | scaleSel.SetValue(int(scale*1000.)) |
---|
2005 | data['Scale'] = scale*1. |
---|
2006 | G2plt.PlotSngl(G2frame) |
---|
2007 | |
---|
2008 | def OnLayerSlider(event): |
---|
2009 | layer = layerSel.GetValue() |
---|
2010 | data['Layer'] = layer |
---|
2011 | G2plt.PlotSngl(G2frame) |
---|
2012 | |
---|
2013 | def OnSelZone(event): |
---|
2014 | data['Zone'] = zoneSel.GetValue() |
---|
2015 | izone = zones.index(data['Zone']) |
---|
2016 | layerSel.SetRange(maxValue=HKLmax[izone],minValue=HKLmin[izone]) |
---|
2017 | G2plt.PlotSngl(G2frame,newPlot=True) |
---|
2018 | |
---|
2019 | def OnSelType(event): |
---|
2020 | data['Type'] = typeSel.GetValue() |
---|
2021 | G2plt.PlotSngl(G2frame) |
---|
2022 | |
---|
2023 | def SetStatusLine(): |
---|
2024 | Status.SetStatusText("") |
---|
2025 | |
---|
2026 | if G2frame.dataDisplay: |
---|
2027 | G2frame.dataDisplay.Destroy() |
---|
2028 | if not G2frame.dataFrame.GetStatusBar(): |
---|
2029 | Status = G2frame.dataFrame.CreateStatusBar() |
---|
2030 | SetStatusLine() |
---|
2031 | zones = ['100','010','001'] |
---|
2032 | HKLmax = data['HKLmax'] |
---|
2033 | HKLmin = data['HKLmin'] |
---|
2034 | typeChoices = ['Fosq','Fo','|DFsq|/sig','|DFsq|>sig','|DFsq|>3sig'] |
---|
2035 | G2frame.dataDisplay = wx.Panel(G2frame.dataFrame) |
---|
2036 | SetDataMenuBar(G2frame) |
---|
2037 | G2frame.dataFrame.SetTitle('HKL Plot Controls') |
---|
2038 | mainSizer = wx.BoxSizer(wx.VERTICAL) |
---|
2039 | mainSizer.Add((5,10),0) |
---|
2040 | |
---|
2041 | scaleSizer = wx.BoxSizer(wx.HORIZONTAL) |
---|
2042 | scaleSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Scale'),0, |
---|
2043 | wx.ALIGN_CENTER_VERTICAL|wx.EXPAND) |
---|
2044 | scaleSel = wx.Slider(parent=G2frame.dataDisplay,maxValue=1000,minValue=1, |
---|
2045 | style=wx.SL_HORIZONTAL,value=int(data['Scale']*10)) |
---|
2046 | scaleSizer.Add(scaleSel,1,wx.EXPAND|wx.RIGHT|wx.ALIGN_CENTER_VERTICAL) |
---|
2047 | scaleSel.SetLineSize(10) |
---|
2048 | scaleSel.SetPageSize(10) |
---|
2049 | scaleSel.Bind(wx.EVT_SLIDER, OnScaleSlider) |
---|
2050 | mainSizer.Add(scaleSizer,0,wx.EXPAND|wx.RIGHT) |
---|
2051 | mainSizer.Add((0,10),0) |
---|
2052 | |
---|
2053 | zoneSizer = wx.BoxSizer(wx.HORIZONTAL) |
---|
2054 | zoneSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Zone '),0, |
---|
2055 | wx.ALIGN_CENTER_VERTICAL) |
---|
2056 | zoneSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['Zone'],choices=['100','010','001'], |
---|
2057 | style=wx.CB_READONLY|wx.CB_DROPDOWN) |
---|
2058 | zoneSel.Bind(wx.EVT_COMBOBOX, OnSelZone) |
---|
2059 | zoneSizer.Add(zoneSel,0,wx.ALIGN_CENTER_VERTICAL) |
---|
2060 | zoneSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Plot type '),0, |
---|
2061 | wx.ALIGN_CENTER_VERTICAL) |
---|
2062 | typeSel = wx.ComboBox(parent=G2frame.dataDisplay,value=data['Type'],choices=typeChoices, |
---|
2063 | style=wx.CB_READONLY|wx.CB_DROPDOWN) |
---|
2064 | typeSel.Bind(wx.EVT_COMBOBOX, OnSelType) |
---|
2065 | zoneSizer.Add(typeSel,0,wx.ALIGN_CENTER_VERTICAL) |
---|
2066 | zoneSizer.Add((10,0),0) |
---|
2067 | mainSizer.Add(zoneSizer,0,wx.EXPAND|wx.RIGHT) |
---|
2068 | mainSizer.Add((0,10),0) |
---|
2069 | |
---|
2070 | izone = zones.index(data['Zone']) |
---|
2071 | layerSizer = wx.BoxSizer(wx.HORIZONTAL) |
---|
2072 | layerSizer.Add(wx.StaticText(parent=G2frame.dataDisplay,label=' Layer'),0, |
---|
2073 | wx.ALIGN_CENTER_VERTICAL|wx.EXPAND) |
---|
2074 | layerSel = wx.Slider(parent=G2frame.dataDisplay,maxValue=HKLmax[izone],minValue=HKLmin[izone], |
---|
2075 | style=wx.SL_HORIZONTAL|wx.SL_AUTOTICKS|wx.SL_LABELS,value=0) |
---|
2076 | layerSel.SetLineSize(1) |
---|
2077 | layerSel.SetPageSize(1) |
---|
2078 | layerSel.Bind(wx.EVT_SLIDER, OnLayerSlider) |
---|
2079 | layerSizer.Add(layerSel,1,wx.EXPAND|wx.RIGHT|wx.ALIGN_CENTER_VERTICAL) |
---|
2080 | layerSizer.Add((10,0),0) |
---|
2081 | mainSizer.Add(layerSizer,1,wx.EXPAND|wx.RIGHT) |
---|
2082 | |
---|
2083 | |
---|
2084 | mainSizer.Layout() |
---|
2085 | G2frame.dataDisplay.SetSizer(mainSizer) |
---|
2086 | G2frame.dataDisplay.SetSize(mainSizer.Fit(G2frame.dataFrame)) |
---|
2087 | G2frame.dataFrame.setSizePosLeft(mainSizer.Fit(G2frame.dataFrame)) |
---|
2088 | |
---|
2089 | ################################################################################ |
---|
2090 | ##### Pattern tree routines |
---|
2091 | ################################################################################ |
---|
2092 | |
---|
2093 | def GetPatternTreeDataNames(G2frame,dataTypes): |
---|
2094 | '''Needs a doc string |
---|
2095 | ''' |
---|
2096 | names = [] |
---|
2097 | item, cookie = G2frame.PatternTree.GetFirstChild(G2frame.root) |
---|
2098 | while item: |
---|
2099 | name = G2frame.PatternTree.GetItemText(item) |
---|
2100 | if name[:4] in dataTypes: |
---|
2101 | names.append(name) |
---|
2102 | item, cookie = G2frame.PatternTree.GetNextChild(G2frame.root, cookie) |
---|
2103 | return names |
---|
2104 | |
---|
2105 | def GetPatternTreeItemId(G2frame, parentId, itemText): |
---|
2106 | '''Needs a doc string |
---|
2107 | ''' |
---|
2108 | item, cookie = G2frame.PatternTree.GetFirstChild(parentId) |
---|
2109 | while item: |
---|
2110 | if G2frame.PatternTree.GetItemText(item) == itemText: |
---|
2111 | return item |
---|
2112 | item, cookie = G2frame.PatternTree.GetNextChild(parentId, cookie) |
---|
2113 | return 0 |
---|
2114 | |
---|
2115 | def MovePatternTreeToGrid(G2frame,item): |
---|
2116 | '''Needs a doc string |
---|
2117 | ''' |
---|
2118 | |
---|
2119 | # print G2frame.PatternTree.GetItemText(item) |
---|
2120 | |
---|
2121 | oldPage = None # will be set later if already on a Phase item |
---|
2122 | if G2frame.dataFrame: |
---|
2123 | SetDataMenuBar(G2frame) |
---|
2124 | if G2frame.dataFrame.GetLabel() == 'Comments': |
---|
2125 | try: |
---|
2126 | data = [G2frame.dataDisplay.GetValue()] |
---|
2127 | G2frame.dataDisplay.Clear() |
---|
2128 | Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Comments') |
---|
2129 | if Id: G2frame.PatternTree.SetItemPyData(Id,data) |
---|
2130 | except: #clumsy but avoids dead window problem when opening another project |
---|
2131 | pass |
---|
2132 | elif G2frame.dataFrame.GetLabel() == 'Notebook': |
---|
2133 | try: |
---|
2134 | data = [G2frame.dataDisplay.GetValue()] |
---|
2135 | G2frame.dataDisplay.Clear() |
---|
2136 | Id = GetPatternTreeItemId(G2frame,G2frame.root, 'Notebook') |
---|
2137 | if Id: G2frame.PatternTree.SetItemPyData(Id,data) |
---|
2138 | except: #clumsy but avoids dead window problem when opening another project |
---|
2139 | pass |
---|
2140 | elif 'Phase Data for' in G2frame.dataFrame.GetLabel(): |
---|
2141 | if G2frame.dataDisplay: |
---|
2142 | oldPage = G2frame.dataDisplay.GetSelection() |
---|
2143 | G2frame.dataFrame.Clear() |
---|
2144 | G2frame.dataFrame.SetLabel('') |
---|
2145 | else: |
---|
2146 | #create the frame for the data item window |
---|
2147 | G2frame.dataFrame = DataFrame(parent=G2frame.mainPanel,frame=G2frame) |
---|
2148 | G2frame.dataFrame.PhaseUserSize = None |
---|
2149 | |
---|
2150 | G2frame.dataFrame.Raise() |
---|
2151 | G2frame.PickId = 0 |
---|
2152 | parentID = G2frame.root |
---|
2153 | for i in G2frame.ExportPattern: i.Enable(False) |
---|
2154 | defWid = [250,150] |
---|
2155 | if item != G2frame.root: |
---|
2156 | parentID = G2frame.PatternTree.GetItemParent(item) |
---|
2157 | if G2frame.PatternTree.GetItemParent(item) == G2frame.root: |
---|
2158 | G2frame.PatternId = item |
---|
2159 | G2frame.PickId = item |
---|
2160 | if G2frame.PatternTree.GetItemText(item) == 'Notebook': |
---|
2161 | SetDataMenuBar(G2frame,G2frame.dataFrame.DataNotebookMenu) |
---|
2162 | G2frame.PatternId = 0 |
---|
2163 | for i in G2frame.ExportPattern: i.Enable(False) |
---|
2164 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2165 | UpdateNotebook(G2frame,data) |
---|
2166 | elif G2frame.PatternTree.GetItemText(item) == 'Controls': |
---|
2167 | G2frame.PatternId = 0 |
---|
2168 | for i in G2frame.ExportPattern: i.Enable(False) |
---|
2169 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2170 | if not data: #fill in defaults |
---|
2171 | data = { |
---|
2172 | #least squares controls |
---|
2173 | 'deriv type':'analytic Hessian','min dM/M':0.0001,'shift factor':1.0,'max cyc':3} |
---|
2174 | G2frame.PatternTree.SetItemPyData(item,data) |
---|
2175 | for i in G2frame.Refine: i.Enable(True) |
---|
2176 | for i in G2frame.SeqRefine: i.Enable(True) |
---|
2177 | UpdateControls(G2frame,data) |
---|
2178 | elif G2frame.PatternTree.GetItemText(item) == 'Sequential results': |
---|
2179 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2180 | UpdateSeqResults(G2frame,data) |
---|
2181 | elif G2frame.PatternTree.GetItemText(item) == 'Covariance': |
---|
2182 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2183 | G2frame.dataFrame.setSizePosLeft(defWid) |
---|
2184 | text = '' |
---|
2185 | if 'Rvals' in data: |
---|
2186 | Nvars = len(data['varyList']) |
---|
2187 | Rvals = data['Rvals'] |
---|
2188 | text = '\nFinal residuals: \nRw = %.3f%% \nchi**2 = %.1f \nGOF = %.2f'%(Rvals['Rwp'],Rvals['chisq'],Rvals['GOF']) |
---|
2189 | text += '\nNobs = %d \nNvals = %d'%(Rvals['Nobs'],Nvars) |
---|
2190 | if 'lamMax' in Rvals: |
---|
2191 | text += '\nlog10 MaxLambda = %.1f'%(np.log10(Rvals['lamMax'])) |
---|
2192 | wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(), |
---|
2193 | value='See plot window for covariance display'+text,style=wx.TE_MULTILINE) |
---|
2194 | G2plt.PlotCovariance(G2frame,data) |
---|
2195 | elif G2frame.PatternTree.GetItemText(item) == 'Constraints': |
---|
2196 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2197 | G2cnstG.UpdateConstraints(G2frame,data) |
---|
2198 | elif G2frame.PatternTree.GetItemText(item) == 'Rigid bodies': |
---|
2199 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2200 | G2cnstG.UpdateRigidBodies(G2frame,data) |
---|
2201 | elif G2frame.PatternTree.GetItemText(item) == 'Restraints': |
---|
2202 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2203 | Phases = G2frame.GetPhaseData() |
---|
2204 | phase = '' |
---|
2205 | phaseName = '' |
---|
2206 | if Phases: |
---|
2207 | phaseName = Phases.keys()[0] |
---|
2208 | G2frame.dataFrame.setSizePosLeft(defWid) |
---|
2209 | G2restG.UpdateRestraints(G2frame,data,Phases,phaseName) |
---|
2210 | elif 'IMG' in G2frame.PatternTree.GetItemText(item): |
---|
2211 | G2frame.Image = item |
---|
2212 | G2plt.PlotImage(G2frame,newPlot=True) |
---|
2213 | elif 'PKS' in G2frame.PatternTree.GetItemText(item): |
---|
2214 | G2plt.PlotPowderLines(G2frame) |
---|
2215 | elif 'PWDR' in G2frame.PatternTree.GetItemText(item): |
---|
2216 | for i in G2frame.ExportPattern: i.Enable(True) |
---|
2217 | UpdatePWHKPlot(G2frame,'PWDR',item) |
---|
2218 | elif 'HKLF' in G2frame.PatternTree.GetItemText(item): |
---|
2219 | G2frame.Sngl = item |
---|
2220 | UpdatePWHKPlot(G2frame,'HKLF',item) |
---|
2221 | elif 'PDF' in G2frame.PatternTree.GetItemText(item): |
---|
2222 | G2frame.PatternId = item |
---|
2223 | for i in G2frame.ExportPDF: i.Enable(True) |
---|
2224 | G2plt.PlotISFG(G2frame,type='S(Q)') |
---|
2225 | elif G2frame.PatternTree.GetItemText(item) == 'Phases': |
---|
2226 | G2frame.dataFrame.setSizePosLeft(defWid) |
---|
2227 | wx.TextCtrl(parent=G2frame.dataFrame,size=G2frame.dataFrame.GetClientSize(), |
---|
2228 | value='Select one phase to see its parameters') |
---|
2229 | elif 'I(Q)' in G2frame.PatternTree.GetItemText(item): |
---|
2230 | G2frame.PickId = item |
---|
2231 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2232 | G2plt.PlotISFG(G2frame,type='I(Q)',newPlot=True) |
---|
2233 | elif 'S(Q)' in G2frame.PatternTree.GetItemText(item): |
---|
2234 | G2frame.PickId = item |
---|
2235 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2236 | G2plt.PlotISFG(G2frame,type='S(Q)',newPlot=True) |
---|
2237 | elif 'F(Q)' in G2frame.PatternTree.GetItemText(item): |
---|
2238 | G2frame.PickId = item |
---|
2239 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2240 | G2plt.PlotISFG(G2frame,type='F(Q)',newPlot=True) |
---|
2241 | elif 'G(R)' in G2frame.PatternTree.GetItemText(item): |
---|
2242 | G2frame.PickId = item |
---|
2243 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2244 | G2plt.PlotISFG(G2frame,type='G(R)',newPlot=True) |
---|
2245 | elif G2frame.PatternTree.GetItemText(parentID) == 'Phases': |
---|
2246 | G2frame.PickId = item |
---|
2247 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2248 | G2phG.UpdatePhaseData(G2frame,item,data,oldPage) |
---|
2249 | elif G2frame.PatternTree.GetItemText(item) == 'Comments': |
---|
2250 | SetDataMenuBar(G2frame,G2frame.dataFrame.DataCommentsMenu) |
---|
2251 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2252 | G2frame.PickId = item |
---|
2253 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2254 | UpdateComments(G2frame,data) |
---|
2255 | elif G2frame.PatternTree.GetItemText(item) == 'Image Controls': |
---|
2256 | G2frame.dataFrame.SetTitle('Image Controls') |
---|
2257 | G2frame.PickId = item |
---|
2258 | G2frame.Image = G2frame.PatternTree.GetItemParent(item) |
---|
2259 | masks = G2frame.PatternTree.GetItemPyData( |
---|
2260 | GetPatternTreeItemId(G2frame,G2frame.Image, 'Masks')) |
---|
2261 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2262 | G2imG.UpdateImageControls(G2frame,data,masks) |
---|
2263 | G2plt.PlotImage(G2frame) |
---|
2264 | elif G2frame.PatternTree.GetItemText(item) == 'Masks': |
---|
2265 | G2frame.dataFrame.SetTitle('Masks') |
---|
2266 | G2frame.PickId = item |
---|
2267 | G2frame.Image = G2frame.PatternTree.GetItemParent(item) |
---|
2268 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2269 | G2imG.UpdateMasks(G2frame,data) |
---|
2270 | G2plt.PlotImage(G2frame) |
---|
2271 | elif G2frame.PatternTree.GetItemText(item) == 'Stress/Strain': |
---|
2272 | G2frame.dataFrame.SetTitle('Stress/Strain') |
---|
2273 | G2frame.PickId = item |
---|
2274 | G2frame.Image = G2frame.PatternTree.GetItemParent(item) |
---|
2275 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2276 | G2imG.UpdateStressStrain(G2frame,data) |
---|
2277 | G2plt.PlotImage(G2frame) |
---|
2278 | elif G2frame.PatternTree.GetItemText(item) == 'HKL Plot Controls': |
---|
2279 | G2frame.PickId = item |
---|
2280 | G2frame.Sngl = G2frame.PatternTree.GetItemParent(item) |
---|
2281 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2282 | UpdateHKLControls(G2frame,data) |
---|
2283 | G2plt.PlotSngl(G2frame) |
---|
2284 | elif G2frame.PatternTree.GetItemText(item) == 'PDF Controls': |
---|
2285 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2286 | for i in G2frame.ExportPDF: i.Enable(True) |
---|
2287 | G2frame.PickId = item |
---|
2288 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2289 | G2pdG.UpdatePDFGrid(G2frame,data) |
---|
2290 | G2plt.PlotISFG(G2frame,type='I(Q)') |
---|
2291 | G2plt.PlotISFG(G2frame,type='S(Q)') |
---|
2292 | G2plt.PlotISFG(G2frame,type='F(Q)') |
---|
2293 | G2plt.PlotISFG(G2frame,type='G(R)') |
---|
2294 | elif G2frame.PatternTree.GetItemText(item) == 'Peak List': |
---|
2295 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2296 | for i in G2frame.ExportPeakList: i.Enable(True) |
---|
2297 | G2frame.PickId = item |
---|
2298 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2299 | G2pdG.UpdatePeakGrid(G2frame,data) |
---|
2300 | G2plt.PlotPatterns(G2frame) |
---|
2301 | elif G2frame.PatternTree.GetItemText(item) == 'Background': |
---|
2302 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2303 | G2frame.PickId = item |
---|
2304 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2305 | G2pdG.UpdateBackground(G2frame,data) |
---|
2306 | G2plt.PlotPatterns(G2frame) |
---|
2307 | elif G2frame.PatternTree.GetItemText(item) == 'Limits': |
---|
2308 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2309 | G2frame.PickId = item |
---|
2310 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2311 | G2pdG.UpdateLimitsGrid(G2frame,data) |
---|
2312 | G2plt.PlotPatterns(G2frame) |
---|
2313 | elif G2frame.PatternTree.GetItemText(item) == 'Instrument Parameters': |
---|
2314 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2315 | G2frame.PickId = item |
---|
2316 | data = G2frame.PatternTree.GetItemPyData(item)[0] |
---|
2317 | G2pdG.UpdateInstrumentGrid(G2frame,data) |
---|
2318 | G2plt.PlotPeakWidths(G2frame) |
---|
2319 | elif G2frame.PatternTree.GetItemText(item) == 'Sample Parameters': |
---|
2320 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2321 | G2frame.PickId = item |
---|
2322 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2323 | |
---|
2324 | if 'Temperature' not in data: #temp fix for old gpx files |
---|
2325 | data = {'Scale':[1.0,True],'Type':'Debye-Scherrer','Absorption':[0.0,False],'DisplaceX':[0.0,False], |
---|
2326 | 'DisplaceY':[0.0,False],'Diffuse':[],'Temperature':300.,'Pressure':1.0,'Humidity':0.0,'Voltage':0.0, |
---|
2327 | 'Force':0.0,'Gonio. radius':200.0} |
---|
2328 | G2frame.PatternTree.SetItemPyData(item,data) |
---|
2329 | |
---|
2330 | G2pdG.UpdateSampleGrid(G2frame,data) |
---|
2331 | G2plt.PlotPatterns(G2frame) |
---|
2332 | elif G2frame.PatternTree.GetItemText(item) == 'Index Peak List': |
---|
2333 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2334 | for i in G2frame.ExportPeakList: i.Enable(True) |
---|
2335 | G2frame.PickId = item |
---|
2336 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2337 | G2pdG.UpdateIndexPeaksGrid(G2frame,data) |
---|
2338 | if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId): |
---|
2339 | G2plt.PlotPowderLines(G2frame) |
---|
2340 | else: |
---|
2341 | G2plt.PlotPatterns(G2frame) |
---|
2342 | elif G2frame.PatternTree.GetItemText(item) == 'Unit Cells List': |
---|
2343 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2344 | G2frame.PickId = item |
---|
2345 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2346 | if not data: |
---|
2347 | data.append([0,0.0,4,25.0,0,'P1',1,1,1,90,90,90]) #zero error flag, zero value, max Nc/No, start volume |
---|
2348 | data.append([0,0,0,0,0,0,0,0,0,0,0,0,0,0]) #Bravais lattice flags |
---|
2349 | data.append([]) #empty cell list |
---|
2350 | data.append([]) #empty dmin |
---|
2351 | G2frame.PatternTree.SetItemPyData(item,data) |
---|
2352 | G2pdG.UpdateUnitCellsGrid(G2frame,data) |
---|
2353 | if 'PKS' in G2frame.PatternTree.GetItemText(G2frame.PatternId): |
---|
2354 | G2plt.PlotPowderLines(G2frame) |
---|
2355 | else: |
---|
2356 | G2plt.PlotPatterns(G2frame) |
---|
2357 | elif G2frame.PatternTree.GetItemText(item) == 'Reflection Lists': #powder reflections |
---|
2358 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2359 | G2frame.PickId = item |
---|
2360 | data = G2frame.PatternTree.GetItemPyData(item) |
---|
2361 | G2frame.RefList = '' |
---|
2362 | if len(data): |
---|
2363 | G2frame.RefList = data.keys()[0] |
---|
2364 | G2pdG.UpdateReflectionGrid(G2frame,data) |
---|
2365 | G2plt.PlotPatterns(G2frame) |
---|
2366 | elif G2frame.PatternTree.GetItemText(item) == 'Reflection List': #HKLF reflections |
---|
2367 | G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) |
---|
2368 | name = G2frame.PatternTree.GetItemText(G2frame.PatternId) |
---|
2369 | data = G2frame.PatternTree.GetItemPyData(G2frame.PatternId) |
---|
2370 | G2pdG.UpdateReflectionGrid(G2frame,data,HKLF=True,Name=name) |
---|
2371 | |
---|
2372 | def SetDataMenuBar(G2frame,menu=None): |
---|
2373 | '''Set the menu for the data frame. On the Mac put this |
---|
2374 | menu for the data tree window instead. |
---|
2375 | |
---|
2376 | Note that data frame items do not have menus, for these (menu=None) |
---|
2377 | display a blank menu or on the Mac display the standard menu for |
---|
2378 | the data tree window. |
---|
2379 | ''' |
---|
2380 | if sys.platform == "darwin": |
---|
2381 | if menu is None: |
---|
2382 | G2frame.SetMenuBar(G2frame.GSASIIMenu) |
---|
2383 | else: |
---|
2384 | G2frame.SetMenuBar(menu) |
---|
2385 | else: |
---|
2386 | if menu is None: |
---|
2387 | G2frame.dataFrame.SetMenuBar(G2frame.dataFrame.BlankMenu) |
---|
2388 | else: |
---|
2389 | G2frame.dataFrame.SetMenuBar(menu) |
---|
2390 | |
---|
2391 | def HorizontalLine(sizer,parent): |
---|
2392 | '''Draws a horizontal line as wide as the window. |
---|
2393 | This shows up on the Mac as a very thin line, no matter what I do |
---|
2394 | ''' |
---|
2395 | line = wx.StaticLine(parent,-1, size=(-1,3), style=wx.LI_HORIZONTAL) |
---|
2396 | sizer.Add(line, 0, wx.EXPAND|wx.ALIGN_CENTER|wx.ALL, 10) |
---|
2397 | |
---|