Source Code for Module diffpy.pdfgui.gui.phaseconstraintspanel

  1  #!/usr/bin/env python 
  2  # -*- coding: UTF-8 -*- 
  3  ############################################################################## 
  4  # 
  5  # PDFgui            by DANSE Diffraction group 
  6  #                   Simon J. L. Billinge 
  7  #                   (c) 2006 trustees of the Michigan State University. 
  8  #                   All rights reserved. 
  9  # 
 10  # File coded by:    Chris Farrow, Dmitriy Bryndin 
 11  # 
 12  # See AUTHORS.txt for a list of people who contributed. 
 13  # See LICENSE.txt for license information. 
 14  # 
 15  ############################################################################## 
 16   
 17  # generated by wxGlade 0.4.1 on Thu Nov  2 11:29:31 2006 
 18   
 19  __id__ = "$Id: phaseconstraintspanel.py 2981 2009-04-02 02:13:58Z farrowch $" 
 20   
 21  import re 
 22  import wx 
 23  import wx.grid 
 24  from diffpy.pdfgui.control.constraint import Constraint 
 25  from diffpy.pdfgui.control.controlerrors import * 
 26  from diffpy.pdfgui.gui.pdfpanel import PDFPanel 
 27  from diffpy.pdfgui.gui.tooltips import phasepanel as toolTips 
 28  from diffpy.pdfgui.gui.wxExtensions.autowidthlabelsgrid import \ 
 29          AutoWidthLabelsGrid 
 30  from diffpy.pdfgui.gui.wxExtensions.textctrlutils import textCtrlAsGridCell 
 31  from diffpy.pdfgui.gui.sgconstraindialog import SGConstrainDialog 
 32  from diffpy.pdfgui.gui import phasepanelutils 
 33   
 34 -class PhaseConstraintsPanel(wx.Panel, PDFPanel): 
 35 -    def __init__(self, *args, **kwds): 
 36          PDFPanel.__init__(self) 
 37          # begin wxGlade: PhaseConstraintsPanel.__init__ 
 38          kwds["style"] = wx.TAB_TRAVERSAL 
 39          wx.Panel.__init__(self, *args, **kwds) 
 40          self.sizerLatticeParameters_staticbox = wx.StaticBox(self, -1, "") 
 41          self.sizerAdditionalParameters_staticbox = wx.StaticBox(self, -1, "") 
 42          self.sizerAtoms_staticbox = wx.StaticBox(self, -1, "") 
 43          self.sizerPanelName_staticbox = wx.StaticBox(self, -1, "") 
 44          self.labelPanelName = wx.StaticText(self, -1, "Phase Constraints") 
 45          self.labelA = wx.StaticText(self, -1, "a") 
 46          self.textCtrlA = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 47          self.labelB = wx.StaticText(self, -1, "b") 
 48          self.textCtrlB = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 49          self.labelC = wx.StaticText(self, -1, "c") 
 50          self.textCtrlC = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 51          self.labelAlpha = wx.StaticText(self, -1, "alpha") 
 52          self.textCtrlAlpha = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 53          self.labelBeta = wx.StaticText(self, -1, "beta") 
 54          self.textCtrlBeta = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 55          self.labelGamma = wx.StaticText(self, -1, "gamma") 
 56          self.textCtrlGamma = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 57          self.labelScaleFactor = wx.StaticText(self, -1, "Scale Factor") 
 58          self.textCtrlScaleFactor = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 59          self.labelDelta1 = wx.StaticText(self, -1, "delta1") 
 60          self.textCtrlDelta1 = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 61          self.labelDelta2 = wx.StaticText(self, -1, "delta2") 
 62          self.textCtrlDelta2 = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 63          self.labelSpdiameter = wx.StaticText(self, -1, "spdiameter") 
 64          self.textCtrlSpdiameter = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 65          self.labelSratio = wx.StaticText(self, -1, "sratio") 
 66          self.textCtrlSratio = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER) 
 67          self.labelRcut = wx.StaticText(self, -1, "rcut") 
 68          self.textCtrlRcut = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER|wx.TE_READONLY) 
 69          self.labelStepcut = wx.StaticText(self, -1, "stepcut") 
 70          self.textCtrlStepcut = wx.TextCtrl(self, -1, "", style=wx.TE_PROCESS_ENTER|wx.TE_READONLY) 
 71          self.labelIncludedPairs = wx.StaticText(self, -1, "Included Pairs") 
 72          self.textCtrlIncludedPairs = wx.TextCtrl(self, -1, "all-all", style=wx.TE_READONLY) 
 73          self.gridAtoms = AutoWidthLabelsGrid(self, -1, size=(1, 1)) 
 74   
 75          self.__set_properties() 
 76          self.__do_layout() 
 77   
 78          self.Bind(wx.grid.EVT_GRID_CMD_CELL_RIGHT_CLICK, self.onCellRightClick, self.gridAtoms) 
 79          self.Bind(wx.grid.EVT_GRID_CMD_EDITOR_SHOWN, self.onEditorShown, self.gridAtoms) 
 80          self.Bind(wx.grid.EVT_GRID_CMD_LABEL_RIGHT_CLICK, self.onLabelRightClick, self.gridAtoms) 
 81          self.Bind(wx.grid.EVT_GRID_CMD_CELL_CHANGE, self.onCellChange, self.gridAtoms) 
 82          # end wxGlade 
 83          self.__customProperties() 
 84   
 85 -    def __set_properties(self): 
 86          # begin wxGlade: PhaseConstraintsPanel.__set_properties 
 87          self.labelPanelName.SetFont(wx.Font(18, wx.DEFAULT, wx.NORMAL, wx.BOLD, 0, "")) 
 88          self.labelA.SetToolTipString("lat(1)") 
 89          self.textCtrlA.SetToolTipString("lat(1)") 
 90          self.labelB.SetToolTipString("lat(2)") 
 91          self.textCtrlB.SetToolTipString("lat(2)") 
 92          self.labelC.SetToolTipString("lat(3)") 
 93          self.textCtrlC.SetToolTipString("lat(3)") 
 94          self.labelAlpha.SetToolTipString("lat(4)") 
 95          self.textCtrlAlpha.SetToolTipString("lat(4)") 
 96          self.labelBeta.SetToolTipString("lat(5)") 
 97          self.textCtrlBeta.SetToolTipString("lat(5)") 
 98          self.labelGamma.SetToolTipString("lat(6)") 
 99          self.textCtrlGamma.SetToolTipString("lat(6)") 
100          self.labelScaleFactor.SetToolTipString("phase scale factor") 
101          self.textCtrlScaleFactor.SetToolTipString("phase scale") 
102          self.labelDelta1.SetToolTipString("linear atomic correlation factor") 
103          self.textCtrlDelta1.SetToolTipString("linear atomic correlation factor") 
104          self.labelDelta2.SetToolTipString("quadratic atomic correlation factor") 
105          self.textCtrlDelta2.SetToolTipString("quadratic atomic correlation factor") 
106          self.labelSpdiameter.SetToolTipString("spherical nanoparticle amplitude correction") 
107          self.textCtrlSpdiameter.SetToolTipString("spherical nanoparticle amplitude correction") 
108          self.labelSratio.SetToolTipString("low r peak sharpening") 
109          self.textCtrlSratio.SetToolTipString("low r peak sharpening") 
110          self.labelRcut.SetToolTipString("peak sharpening cutoff") 
111          self.textCtrlRcut.SetToolTipString("peak sharpening cutoff") 
112          self.labelStepcut.SetToolTipString("cutoff for profile step-function") 
113          self.textCtrlStepcut.SetToolTipString("cutoff for profile step-function") 
114          self.textCtrlIncludedPairs.SetMinSize((240, 25)) 
115          self.gridAtoms.CreateGrid(0, 11) 
116          self.gridAtoms.EnableDragRowSize(0) 
117          self.gridAtoms.SetColLabelValue(0, "elem") 
118          self.gridAtoms.SetColLabelValue(1, "x") 
119          self.gridAtoms.SetColLabelValue(2, "y") 
120          self.gridAtoms.SetColLabelValue(3, "z") 
121          self.gridAtoms.SetColLabelValue(4, "u11") 
122          self.gridAtoms.SetColLabelValue(5, "u22") 
123          self.gridAtoms.SetColLabelValue(6, "u33") 
124          self.gridAtoms.SetColLabelValue(7, "u12") 
125          self.gridAtoms.SetColLabelValue(8, "u13") 
126          self.gridAtoms.SetColLabelValue(9, "u23") 
127          self.gridAtoms.SetColLabelValue(10, "occ") 
128          # end wxGlade 
129          self.setToolTips(toolTips) 
130   
131   
132 -    def __do_layout(self): 
133          # begin wxGlade: PhaseConstraintsPanel.__do_layout 
134          sizerMain = wx.BoxSizer(wx.VERTICAL) 
135          sizerAtoms = wx.StaticBoxSizer(self.sizerAtoms_staticbox, wx.VERTICAL) 
136          sizer_1 = wx.BoxSizer(wx.HORIZONTAL) 
137          sizerAdditionalParameters = wx.StaticBoxSizer(self.sizerAdditionalParameters_staticbox, wx.HORIZONTAL) 
138          grid_sizer_4 = wx.FlexGridSizer(3, 6, 0, 0) 
139          sizerLatticeParameters = wx.StaticBoxSizer(self.sizerLatticeParameters_staticbox, wx.HORIZONTAL) 
140          grid_sizer_3 = wx.FlexGridSizer(2, 6, 0, 0) 
141          sizerPanelName = wx.StaticBoxSizer(self.sizerPanelName_staticbox, wx.HORIZONTAL) 
142          sizerPanelName.Add(self.labelPanelName, 0, wx.LEFT|wx.RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
143          sizerMain.Add(sizerPanelName, 0, wx.LEFT|wx.RIGHT|wx.EXPAND, 5) 
144          grid_sizer_3.Add(self.labelA, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
145          grid_sizer_3.Add(self.textCtrlA, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
146          grid_sizer_3.Add(self.labelB, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
147          grid_sizer_3.Add(self.textCtrlB, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
148          grid_sizer_3.Add(self.labelC, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
149          grid_sizer_3.Add(self.textCtrlC, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
150          grid_sizer_3.Add(self.labelAlpha, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
151          grid_sizer_3.Add(self.textCtrlAlpha, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
152          grid_sizer_3.Add(self.labelBeta, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
153          grid_sizer_3.Add(self.textCtrlBeta, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
154          grid_sizer_3.Add(self.labelGamma, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
155          grid_sizer_3.Add(self.textCtrlGamma, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
156          sizerLatticeParameters.Add(grid_sizer_3, 1, wx.EXPAND, 0) 
157          sizerMain.Add(sizerLatticeParameters, 0, wx.LEFT|wx.RIGHT|wx.EXPAND, 5) 
158          grid_sizer_4.Add(self.labelScaleFactor, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
159          grid_sizer_4.Add(self.textCtrlScaleFactor, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
160          grid_sizer_4.Add((20, 10), 0, 0, 0) 
161          grid_sizer_4.Add((20, 10), 0, 0, 0) 
162          grid_sizer_4.Add((20, 10), 0, 0, 0) 
163          grid_sizer_4.Add((20, 10), 0, 0, 0) 
164          grid_sizer_4.Add(self.labelDelta1, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
165          grid_sizer_4.Add(self.textCtrlDelta1, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
166          grid_sizer_4.Add(self.labelDelta2, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
167          grid_sizer_4.Add(self.textCtrlDelta2, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
168          grid_sizer_4.Add(self.labelSpdiameter, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
169          grid_sizer_4.Add(self.textCtrlSpdiameter, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
170          grid_sizer_4.Add(self.labelSratio, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
171          grid_sizer_4.Add(self.textCtrlSratio, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
172          grid_sizer_4.Add(self.labelRcut, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
173          grid_sizer_4.Add(self.textCtrlRcut, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
174          grid_sizer_4.Add(self.labelStepcut, 0, wx.ALL|wx.ALIGN_RIGHT|wx.ALIGN_CENTER_VERTICAL, 5) 
175          grid_sizer_4.Add(self.textCtrlStepcut, 0, wx.ALL|wx.ALIGN_CENTER_VERTICAL, 0) 
176          sizerAdditionalParameters.Add(grid_sizer_4, 1, wx.EXPAND, 0) 
177          sizerMain.Add(sizerAdditionalParameters, 0, wx.LEFT|wx.RIGHT|wx.EXPAND, 5) 
178          sizer_1.Add(self.labelIncludedPairs, 0, wx.ALL|wx.ALIGN_CENTER_HORIZONTAL|wx.ALIGN_CENTER_VERTICAL, 5) 
179          sizer_1.Add(self.textCtrlIncludedPairs, 0, wx.ALL, 5) 
180          sizerAtoms.Add(sizer_1, 0, wx.EXPAND, 0) 
181          sizerAtoms.Add(self.gridAtoms, 1, wx.EXPAND, 0) 
182          sizerMain.Add(sizerAtoms, 1, wx.LEFT|wx.RIGHT|wx.EXPAND, 5) 
183          self.SetSizer(sizerMain) 
184          sizerMain.Fit(self) 
185          # end wxGlade 
186   
187      ########################################################################## 
188      # Misc Methods 
189   
190 -    def __customProperties(self): 
191          """Custom properties for the panel.""" 
192          self.structure = None 
193          self.constraints = {} 
194          self.results = None 
195          self._textctrls = ['textCtrlA', 'textCtrlB', 'textCtrlC', 
196                  'textCtrlAlpha', 'textCtrlBeta', 'textCtrlGamma', 
197                  'textCtrlScaleFactor', 'textCtrlDelta1', 'textCtrlDelta2', 
198                  'textCtrlSratio', 'textCtrlSpdiameter'] 
199          self._row = 0 
200          self._col = 0 
201          self._focusedText = None 
202          self._selectedCells = [] 
203          # bind onSetFocus onKillFocus events to text controls 
204          for widget in self._textctrls: 
205              self.__dict__[widget].Bind(wx.EVT_SET_FOCUS, self.onSetFocus) 
206              self.__dict__[widget].Bind(wx.EVT_KILL_FOCUS, self.onKillFocus) 
207              self.__dict__[widget].Bind(wx.EVT_KEY_DOWN, self.onTextCtrlKey) 
208   
209          # set up grid 
210          self.lAtomConstraints = ['x','y','z', 
211                                   'u11','u22','u33','u12','u13','u23','occ'] 
212          # pdffit internal naming 
213          self.lConstraints = [ 
214              'lat(1)', 'lat(2)', 'lat(3)', 'lat(4)', 'lat(5)', 'lat(6)', 
215              'pscale', 'delta1', 'delta2', 'sratio', 'spdiameter'] 
216          textCtrlIds = [getattr(self, n).GetId() for n in self._textctrls] 
217          self._id2varname = dict(zip(textCtrlIds, self.lConstraints)) 
218   
219          # set 'elem' abd 'name' columns to read-only 
220          attr = wx.grid.GridCellAttr() 
221          attr.SetReadOnly(True) 
222          self.gridAtoms.SetColAttr(0, attr) 
223          self.gridAtoms.SetColAttr(11, attr) 
224   
225          # catch key events and apply them to the grid 
226          self.Bind(wx.EVT_KEY_DOWN, self.onKey) 
227   
228          # Hide some stuff 
229          self.labelRcut.Hide() 
230          self.textCtrlRcut.Hide() 
231          self.labelStepcut.Hide() 
232          self.textCtrlStepcut.Hide() 
233          return 
234   
235      # Create the onTextCtrlKey event handler from textCtrlAsGridCell from 
236      # wxExtensions.textctrlutils 
237      onTextCtrlKey = textCtrlAsGridCell 
238   
239 -    def _cache(self): 
240          """Cache the current structure and constraints for future comparison.""" 
241          pass 
242   
243 -    def refresh(self): 
244          """Refresh wigets on the panel.""" 
245          if self.structure is None: 
246              raise ValueError("structure is not defined.") 
247   
248          self.refreshTextCtrls() 
249   
250          ### update the grid ### 
251          natoms = len(self.structure) 
252          nrows = self.gridAtoms.GetNumberRows() 
253          self.gridAtoms.BeginBatch() 
254          # make sure grid has correct number of rows 
255          if natoms > nrows: 
256              self.gridAtoms.InsertRows(numRows = natoms - nrows) 
257          elif natoms < nrows: 
258              self.gridAtoms.DeleteRows(numRows = nrows - natoms) 
259   
260          # start with clean grid 
261          self.gridAtoms.ClearGrid() 
262   
263          # fill the first 'elem' column with element symbols 
264          for row, atom in zip(range(natoms), self.structure): 
265              self.gridAtoms.SetCellValue(row, 0, atom.element) 
266   
267          # update constraints 
268          bareAtomVarColumn = dict( zip(self.lAtomConstraints, 
269              range(1, 1 + len(self.lAtomConstraints))) ) 
270          avpat = re.compile(r'(\w+)\((\d+)\)$') 
271          for var, con in self.constraints.iteritems(): 
272              m = avpat.match(var) 
273              if not m:   continue 
274              barevar = m.group(1) 
275              if not barevar in bareAtomVarColumn:    continue 
276              column = bareAtomVarColumn[barevar] 
277              row = int(m.group(2)) - 1 
278              if not 0 <= row < natoms: 
279                  emsg = "Invalid variable index for %r" % var 
280                  raise ControlValueError(emsg) 
281              self.gridAtoms.SetCellValue(row, column, con.formula) 
282              barevar = re.sub(r'\(\d+\)$', '', var) 
283              if not barevar in bareAtomVarColumn:    continue 
284   
285          self.gridAtoms.AutosizeLabels() 
286          self.gridAtoms.AutoSizeColumns() 
287          self.gridAtoms.EndBatch() 
288   
289          self.gridAtoms.AdjustScrollbars() 
290          self.gridAtoms.ForceRefresh() 
291          return 
292   
293 -    def refreshTextCtrls(self): 
294          """Refreshes the TextCtrls. """ 
295   
296          for widget, var in zip(self._textctrls, self.lConstraints): 
297              wobj = getattr(self, widget) 
298              if var in self.constraints: 
299                  s = self.constraints[var].formula 
300              else: 
301                  s = "" 
302              wobj.SetValue(s) 
303   
304          pairs = self.structure.getSelectedPairs() 
305          self.textCtrlIncludedPairs.SetValue(pairs) 
306          return 
307   
308   
309 -    def applyTextCtrlChange(self, id, value): 
310          """Update a structure according to a change in a TextCtrl. 
311   
312          id      --  textctrl id 
313          value   --  new value 
314          """ 
315          self.mainFrame.needsSave() 
316          var = self._id2varname[id] 
317          formula = value.strip() 
318          if formula != "": 
319              self.constraints[var] = Constraint(formula) 
320              return self.constraints[var].formula 
321          else: 
322              self.constraints.pop(var, None) 
323              return "" 
324   
325 -    def applyCellChange(self, i, j, value): 
326          """Update an atom according to a change in a cell. 
327   
328          i       --  cell position 
329          j       --  cell position 
330          value   --  new value 
331   
332          returns the new value stored in the data object, or None if value is 
333          somehow invalid. 
334          """ 
335          self.mainFrame.needsSave() 
336          key = self.lAtomConstraints[j-1] + '('+`i+1`+')' 
337          formula = value.strip() 
338          if formula != "": 
339              self.constraints[key] = Constraint(formula) 
340              return self.constraints[key].formula 
341          else: 
342              self.constraints.pop(key, None) 
343              return "" 
344          return 
345   
346   
347      ########################################################################## 
348      # Event Handlers 
349   
350      # TextCtrl Events 
351 -    def onSetFocus(self, event): 
352          """Saves a TextCtrl value, to be compared in onKillFocuse later.""" 
353          self._focusedText = event.GetEventObject().GetValue() 
354          return 
355   
356 -    def onKillFocus(self, event): 
357          """Check value of TextCtrl and update structure if necessary.""" 
358          if not self.mainFrame: return 
359          textctrl = event.GetEventObject() 
360          value = textctrl.GetValue() 
361          if value != self._focusedText: 
362              self.applyTextCtrlChange(textctrl.GetId(), value) 
363              self.refreshTextCtrls() 
364              self.mainFrame.needsSave() 
365          self._focusedText = None 
366          return 
367   
368      # Grid Events 
369 -    def onLabelRightClick(self, event): # wxGlade: PhaseConstraintsPanel.<event_handler> 
370          """Bring up right-click menu.""" 
371          if self.structure is not None: 
372              dx = dy = 0 
373              if event.GetRow() == -1: 
374                  dy = self.gridAtoms.GetGridCornerLabelWindow().GetSize().y 
375              if event.GetCol() == -1: 
376                  dx = self.gridAtoms.GetGridCornerLabelWindow().GetSize().x 
377   
378              # do not popup menu if the whole grid is set to read only 
379              if len(self.structure) == 0: 
380                  self.popupMenu(self.gridAtoms, event.GetPosition().x-dx, 
381                          event.GetPosition().y-dy) 
382          event.Skip() 
383          return 
384   
385 -    def onCellRightClick(self, event): # wxGlade: PhaseConstraintsPanel.<event_handler> 
386          """Bring up right-click menu.""" 
387          self._row = event.GetRow() 
388          self._col = event.GetCol() 
389   
390          # If the right-clicked node is not part of a group, then make sure that 
391          # it is the only selected cell. 
392          append = False 
393          r = self._row 
394          c = self._col 
395          if self.gridAtoms.IsInSelection(r,c): 
396              append = True 
397          self.gridAtoms.SelectBlock(r,c,r,c,append) 
398   
399          self.popupMenu(self.gridAtoms, event.GetPosition().x, event.GetPosition().y) 
400          event.Skip() 
401          return 
402   
403 -    def onEditorShown(self, event): # wxGlade: PhaseConstraintsPanel.<event_handler> 
404          """Capture the focused text when the grid editor is shown.""" 
405          i = event.GetRow() 
406          j = event.GetCol() 
407          self._focusedText = self.gridAtoms.GetCellValue(i,j) 
408          self._selectedCells = phasepanelutils.getSelectedCells(self) 
409          return 
410   
411 -    def onCellChange(self, event): # wxGlade: PhaseConstraintsPanel.<event_handler> 
412          """Update focused and selected text when a cell changes.""" 
413          # NOTE: be careful with refresh(). It calls Grid.AutoSizeColumns, which 
414          # creates a EVT_GRID_CMD_CELL_CHANGE event, which causes a recursion 
415          # loop. 
416          i = event.GetRow() 
417          j = event.GetCol() 
418   
419          value = self.gridAtoms.GetCellValue(i,j) 
420          while (i,j) in self._selectedCells: 
421              self._selectedCells.remove((i,j)) 
422          # We need the edited cell to be at the front of the list 
423          self._selectedCells.insert(0,(i,j)) 
424          self.fillCells(value) 
425          self._focusedText = None 
426          return 
427   
428 -    def fillCells(self, value): 
429          """Fill cells with a given value. 
430   
431          value       --  string value to place into cells 
432   
433          This uses the member variable _selectedCells, a list of (i,j) tuples for 
434          the selected cells. 
435          """ 
436          for (i,j) in self._selectedCells: 
437              if not self.gridAtoms.IsReadOnly(i,j): 
438                  # Get the last valid text from the cell. For the cell that triggered 
439                  # this method, that is the _focusedText, for other cells it is the 
440                  # value returned by GetCellValue 
441                  oldvalue = self._focusedText 
442                  if oldvalue is None: 
443                      oldvalue = self.gridAtoms.GetCellValue(i,j) 
444                  self._focusedText = None 
445                  newvalue = self.applyCellChange(i,j, value) 
446                  #print i, j, value, oldvalue, newvalue 
447                  if newvalue is None: 
448                      # Get out of here. If the value is invalid, it won't be valid 
449                      # for any cells. 
450                      newvalue = oldvalue 
451                      self.gridAtoms.SetCellValue(i,j,str(newvalue)) 
452                      break 
453                  else: 
454                      self.gridAtoms.SetCellValue(i,j,str(newvalue)) 
455   
456          phasepanelutils.quickResizeColumns(self, self._selectedCells) 
457          return 
458   
459   
460 -    def onKey(self, event): 
461          """Catch key events in the panel.""" 
462          key = event.GetKeyCode() 
463   
464          # Select All - Ctrl+A 
465          if event.ControlDown() and key == 65: 
466              rows = self.gridAtoms.GetNumberRows() 
467              cols = self.gridAtoms.GetNumberCols() 
468              self.gridAtoms.SelectBlock(0,0,rows,cols) 
469   
470          # Delete 
471          elif key == 127: 
472              self._selectedCells = phasepanelutils.getSelectedCells(self) 
473              self.fillCells("") 
474              self.mainFrame.needsSave() 
475   
476          # Can't get these to work. Maybe later. 
477          ## Copy - Ctrl+C / Ctrl+Insert 
478          #if event.ControlDown() and (key == 67 or key == wx.WXK_INSERT): 
479          #    if phasepanelutils.canCopySelectedCells(self): 
480          #        phasepanelutils.copySelectedCells(self) 
481   
482          ## Paste - Ctrl+V / Shift+Insert 
483          #if (event.ControlDown() and key == 86) or\ 
484          #   (event.ShiftDown() and key == wx.WXK_INSERT): 
485          #       if phasepanelutils.canPasteIntoCells(self): 
486          #           phasepanelutils.pasteIntoCells(self) 
487   
488          else: 
489              event.Skip() 
490          return 
491   
492      ########################################################################## 
493      # Grid popup menu and handlers 
494   
495 -    def popupMenu(self, window, x, y): 
496          """Creates the popup menu 
497   
498          window  --  window, where to popup a menu 
499          x       --  x coordinate 
500          y       --  y coordinate 
501          """ 
502          # only do this part the first time so the events are only bound once 
503          if not hasattr(self, "spaceGroupID"): 
504              self.spaceGroupID = wx.NewId() 
505              self.copyID = wx.NewId() 
506              self.pasteID = wx.NewId() 
507   
508              self.Bind(wx.EVT_MENU, self.onPopupSpaceGroup, id=self.spaceGroupID) 
509              self.Bind(wx.EVT_MENU, self.onPopupCopy, id=self.copyID) 
510              self.Bind(wx.EVT_MENU, self.onPopupPaste, id=self.pasteID) 
511   
512          # make a menu 
513          menu = wx.Menu() 
514   
515          # add some other items 
516          menu.Append(self.spaceGroupID, "Symmetry constraints...") 
517          menu.AppendSeparator() 
518          menu.Append(self.copyID, "Copy") 
519          menu.Append(self.pasteID, "Paste") 
520   
521          # Disable some items if there are no atoms selected 
522          indices = phasepanelutils.getSelectedAtoms(self) 
523          if not indices: 
524              menu.Enable(self.spaceGroupID, False); 
525   
526          # Check for copy/paste 
527          if not phasepanelutils.canCopySelectedCells(self): 
528              menu.Enable(self.copyID, False) 
529          if not phasepanelutils.canPasteIntoCells(self): 
530              menu.Enable(self.pasteID, False) 
531   
532          # Popup the menu.  If an item is selected then its handler 
533          # will be called before PopupMenu returns. 
534          window.PopupMenu(menu, wx.Point(x,y)) 
535          menu.Destroy() 
536          return 
537   
538 -    def onPopupSpaceGroup(self, event): 
539          """Create a supercell with the supercell dialog.""" 
540          if self.structure is not None: 
541   
542              indices = phasepanelutils.getSelectedAtoms(self) 
543              dlg = SGConstrainDialog(self) 
544              dlg.mainFrame = self.mainFrame 
545              dlg.indices = indices 
546              dlg.setStructure(self.structure) 
547              dlg.updateWidgets() 
548              if dlg.ShowModal() == wx.ID_OK: 
549                  spcgrp = dlg.getSpaceGroup() 
550                  offset = dlg.getOffset() 
551                  posflag = dlg.getPosFlag() 
552                  tempflag = dlg.getTempFlag() 
553                  self.structure.applySymmetryConstraints(spcgrp, 
554                          indices, posflag, tempflag, offset) 
555                  self.refresh() 
556              dlg.Destroy() 
557              self.mainFrame.needsSave() 
558          return 
559   
560 -    def onPopupCopy(self, event): 
561          """Copy selected cells.""" 
562          phasepanelutils.copySelectedCells(self) 
563          return 
564   
565 -    def onPopupPaste(self, event): 
566          """Paste previously copied cells.""" 
567          phasepanelutils.pasteIntoCells(self) 
568          return 
569   
570  # end of class PhaseConstraintsPanel 
571