Changeset 5037 for trunk/GSASIIphsGUI.py
- Timestamp:
- Sep 25, 2021 9:25:15 AM (20 months ago)
- File:
-
- 1 edited
-
trunk/GSASIIphsGUI.py (modified) (6 diffs)
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIphsGUI.py
r5029 r5037 5323 5323 'runTimes':runTimes,'ReStart':[False,False],'BVS':BVS,'Oxid':atOxid,'useBVS':False,'Swaps':[], 5324 5324 'AveCN':[],'FxCN':[],'Potentials':{'Angles':[],'Angle search':10.,'Stretch':[], 5325 'Stretch search':10.,'Pot. Temp.':300., 5326 }} 5325 'Stretch search':10.,'Pot. Temp.':300.,'useGPU':False,}} 5327 5326 5328 5327 RMCPdict = data['RMC']['RMCProfile'] … … 5330 5329 if 'FitScale' not in RMCPdict: 5331 5330 RMCPdict['FitScale'] = False 5331 if 'useGPU' not in RMCPdict: 5332 RMCPdict['useGPU'] = False 5332 5333 5333 5334 #end patches … … 5378 5379 5379 5380 def GetTimeSizer(): 5381 5382 def OnUseGPU(event): 5383 RMCPdict['useGPU'] = not RMCPdict['useGPU'] 5384 5380 5385 timeSizer = wx.BoxSizer(wx.HORIZONTAL) 5381 5386 timeSizer.Add(wx.StaticText(G2frame.FRMC,label=' Total running time (min): '),0,WACV) 5382 timeSizer.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict['runTimes'],0,xmin=0. ),0,WACV)5387 timeSizer.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict['runTimes'],0,xmin=0.,size=(70,25)),0,WACV) 5383 5388 timeSizer.Add(wx.StaticText(G2frame.FRMC,label=' Save interval time (min): '),0,WACV) 5384 timeSizer.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict['runTimes'],1,xmin=0.1,xmax=20.),0,WACV) 5389 timeSizer.Add(G2G.ValidatedTxtCtrl(G2frame.FRMC,RMCPdict['runTimes'],1,xmin=0.1,xmax=20.,size=(50,25)),0,WACV) 5390 usegpu = wx.CheckBox(G2frame.FRMC,label=' use GPU?') 5391 usegpu.SetValue(RMCPdict['useGPU']) 5392 usegpu.Bind(wx.EVT_CHECKBOX,OnUseGPU) 5393 timeSizer.Add(usegpu,0,WACV) 5385 5394 return timeSizer 5386 5395 … … 5588 5597 mainSizer.Add(GetSuperSizer(),0) 5589 5598 5590 aPanel = wxscroll.ScrolledPanel(G2frame.FRMC, wx.ID_ANY, 5591 style=wx.TAB_TRAVERSAL|wx.SUNKEN_BORDER) 5599 G2G.HorizontalLine(mainSizer,G2frame.FRMC) 5600 5601 # aPanel = wxscroll.ScrolledPanel(G2frame.FRMC, wx.ID_ANY, 5602 # style=wx.TAB_TRAVERSAL|wx.SUNKEN_BORDER) 5603 # mSizer = wx.BoxSizer(wx.VERTICAL) 5604 # mSizer.Add(wx.StaticText(aPanel,label='Enter atom settings'),0) 5605 # mSizer.Add(GetAtmChoice(aPanel,RMCPdict),0) 5606 # mSizer.Add(wx.StaticText(aPanel,label=' N.B.: be sure to set cations first && anions last in atom ordering')) 5607 # mSizer.Layout() 5608 # aPanel.SetSizer(mSizer) 5609 # aPanel.SetMinSize((300,mSizer.GetMinSize()[1])) 5610 # aPanel.SetAutoLayout(1) 5611 # aPanel.SetupScrolling() 5612 # mainSizer.Add(aPanel,1,wx.EXPAND) 5592 5613 mSizer = wx.BoxSizer(wx.VERTICAL) 5593 mSizer.Add(wx.StaticText(aPanel,label='Enter atom settings'),0) 5594 mSizer.Add(GetAtmChoice(aPanel,RMCPdict),0) 5595 mSizer.Add(wx.StaticText(aPanel,label=' N.B.: be sure to set cations first && anions last in atom ordering')) 5596 mSizer.Layout() 5597 aPanel.SetSizer(mSizer) 5598 aPanel.SetMinSize((300,mSizer.GetMinSize()[1])) 5599 aPanel.SetAutoLayout(1) 5600 aPanel.SetupScrolling() 5601 mainSizer.Add(aPanel,1,wx.EXPAND) 5614 mSizer.Add(wx.StaticText(G2frame.FRMC,label='Enter atom settings'),0) 5615 mSizer.Add(GetAtmChoice(G2frame.FRMC,RMCPdict),0) 5616 mSizer.Add(wx.StaticText(G2frame.FRMC,label=' N.B.: be sure to set cations first && anions last in atom ordering')) 5617 mainSizer.Add(mSizer) 5602 5618 5603 5619 G2G.HorizontalLine(mainSizer,G2frame.FRMC) … … 5613 5629 G2G.HorizontalLine(mainSizer,G2frame.FRMC) 5614 5630 5615 sPanel = wxscroll.ScrolledPanel(G2frame.FRMC, wx.ID_ANY, 5616 style = wx.TAB_TRAVERSAL|wx.SUNKEN_BORDER) 5631 # sPanel = wxscroll.ScrolledPanel(G2frame.FRMC, wx.ID_ANY, 5632 # style = wx.TAB_TRAVERSAL|wx.SUNKEN_BORDER) 5633 # mSizer = wx.BoxSizer(wx.VERTICAL) 5634 # mSizer.Add(wx.StaticText(sPanel,label='Enter constraints && restraints via minimum && maximum distances for atom pairs:'),0) 5635 # mSizer.Add(GetPairSizer(sPanel,RMCPdict),0) 5636 # sPanel.SetSizer(mSizer) 5637 # mSizer.Layout() 5638 # sPanel.SetMinSize((300,25+mSizer.GetMinSize()[1])) 5639 # sPanel.SetAutoLayout(1) 5640 # sPanel.SetupScrolling() 5641 # mainSizer.Add(sPanel,1,wx.EXPAND) 5642 5617 5643 mSizer = wx.BoxSizer(wx.VERTICAL) 5618 mSizer.Add(wx.StaticText(sPanel,label='Enter constraints && restraints via minimum && maximum distances for atom pairs:'),0) 5619 mSizer.Add(GetPairSizer(sPanel,RMCPdict),0) 5620 sPanel.SetSizer(mSizer) 5621 mSizer.Layout() 5622 sPanel.SetMinSize((300,25+mSizer.GetMinSize()[1])) 5623 sPanel.SetAutoLayout(1) 5624 sPanel.SetupScrolling() 5625 mainSizer.Add(sPanel,1,wx.EXPAND) 5644 mSizer.Add(wx.StaticText(G2frame.FRMC,label='Enter constraints && restraints via minimum && maximum distances for atom pairs:'),0) 5645 mSizer.Add(GetPairSizer(G2frame.FRMC,RMCPdict),0) 5646 mainSizer.Add(mSizer) 5626 5647 5627 5648 G2G.HorizontalLine(mainSizer,G2frame.FRMC) … … 5631 5652 mainSizer.Add(useBVS,0) 5632 5653 if RMCPdict.get('useBVS',False): 5633 sPanel = wxscroll.ScrolledPanel(G2frame.FRMC, wx.ID_ANY, 5634 style = wx.TAB_TRAVERSAL|wx.SUNKEN_BORDER) 5654 # sPanel = wxscroll.ScrolledPanel(G2frame.FRMC, wx.ID_ANY, 5655 # style = wx.TAB_TRAVERSAL|wx.SUNKEN_BORDER) 5656 # mSizer = wx.BoxSizer(wx.VERTICAL) 5657 # mSizer.Add(GetBvsSizer(sPanel),0) 5658 # sPanel.SetSizer(mSizer) 5659 # mSizer.Layout() 5660 # sPanel.SetMinSize((300,25+mSizer.GetMinSize()[1])) 5661 # sPanel.SetAutoLayout(1) 5662 # sPanel.SetupScrolling() 5663 # mainSizer.Add(sPanel,1,wx.EXPAND) 5635 5664 mSizer = wx.BoxSizer(wx.VERTICAL) 5636 mSizer.Add(GetBvsSizer(sPanel),0) 5637 sPanel.SetSizer(mSizer) 5638 mSizer.Layout() 5639 sPanel.SetMinSize((300,25+mSizer.GetMinSize()[1])) 5640 sPanel.SetAutoLayout(1) 5641 sPanel.SetupScrolling() 5642 mainSizer.Add(sPanel,1,wx.EXPAND) 5665 mSizer.Add(GetBvsSizer(G2frame.FRMC),0) 5666 mainSizer.Add(mSizer) 5643 5667 5644 5668 G2G.HorizontalLine(mainSizer,G2frame.FRMC)
Note: See TracChangeset
for help on using the changeset viewer.
