Changeset 1207
- Timestamp:
- Jan 29, 2014 9:48:43 AM (9 years ago)
- Location:
- trunk
- Files:
-
- 6 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASII.py
r1205 r1207 1561 1561 self.PatternTree.AppendItem(Id,text='Sample Parameters'), 1562 1562 rd.Sample) 1563 self.PatternTree.SetItemPyData( 1564 self.PatternTree.AppendItem(Id,text='Contrast'), 1565 {}) #Fill in defaults here 1563 1566 self.PatternTree.SetItemPyData( 1564 1567 self.PatternTree.AppendItem(Id,text='Models'), -
trunk/GSASIIIO.py
r1205 r1207 887 887 G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Reflection Lists'),{}) 888 888 elif 'SASD' in name: 889 G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Contrast'),{}) 889 890 G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,Id,'Models'),{}) 890 891 else: … … 906 907 G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Reflection Lists'),{}) 907 908 elif 'SASD' in name: 909 G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Contrast'),{}) 908 910 G2frame.PatternTree.SetItemPyData(G2frame.PatternTree.AppendItem(Id,text='Models'),{}) 909 911 valuesdict = { -
trunk/GSASIIgrid.py
r1206 r1207 24 24 import numpy as np 25 25 import numpy.ma as ma 26 import os .path26 import os 27 27 import wx.html # could postpone this for quicker startup 28 28 import webbrowser # could postpone this for quicker startup … … 2374 2374 self.SelectPhase = self.ReflEdit.Append(help='Select phase for reflection list',id=wxID_SELECTPHASE, 2375 2375 kind=wx.ITEM_NORMAL,text='Select phase') 2376 self.PostfillDataMenu() 2377 2378 #SASD/ Contrast calculator 2379 self.ContrastMenu = wx.MenuBar() 2380 self.PrefillDataMenu(self.ContrastMenu,helpType='Contrast') 2381 self.ContrastEdit = wx.Menu(title='') 2382 self.ContrastMenu.Append(menu=self.ContrastEdit, title='Models') 2376 2383 self.PostfillDataMenu() 2377 2384 … … 3000 3007 data = G2frame.dataDisplay.GetValue().split('\n') 3001 3008 G2frame.PatternTree.SetItemPyData(GetPatternTreeItemId(G2frame,G2frame.root,'Notebook'),data) 3009 if 'nt' not in os.name: 3010 G2frame.dataDisplay.AppendText('\n') 3002 3011 3003 3012 if G2frame.dataDisplay: … … 3835 3844 data = G2frame.PatternTree.GetItemPyData(item) 3836 3845 G2pdG.UpdateModelsGrid(G2frame,data) 3846 elif G2frame.PatternTree.GetItemText(item) == 'Contrast': 3847 G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) 3848 G2frame.PickId = item 3849 data = G2frame.PatternTree.GetItemPyData(item) 3850 G2pdG.UpdateContrastGrid(G2frame,data) 3837 3851 elif G2frame.PatternTree.GetItemText(item) == 'Sample Parameters': 3838 3852 G2frame.PatternId = G2frame.PatternTree.GetItemParent(item) -
trunk/GSASIImath.py
r1201 r1207 2696 2696 HX2pi = 2.*np.pi*np.inner(allX,refList[:3].T) #form 2piHX for every H,X pair 2697 2697 Aterm = refList[3]*np.sum(allFF*np.cos(HX2pi),axis=0)**2 #compute real part for all H 2698 if ifInv: 2699 refList[5] = Aterm 2700 else: 2701 Bterm = refList[3]*np.sum(allFF*np.sin(HX2pi),axis=0)**2 #imaginary part for all H 2702 refList[5] = Aterm+Bterm 2698 refList[5] = Aterm 2699 if not ifInv: 2700 refList[5] += refList[3]*np.sum(allFF*np.sin(HX2pi),axis=0)**2 #imaginary part for all H 2703 2701 if len(cosTable): #apply MD correction 2704 2702 refList[5] *= np.sum(np.sqrt((MDval/(cosTable*(MDval**3-1.)+1.))**3),axis=1)/cosTable.shape[1] -
trunk/GSASIIphsGUI.py
r1206 r1207 755 755 line2Sizer = wx.BoxSizer(wx.HORIZONTAL) 756 756 line2Sizer.Add(wx.StaticText(General,label=' MC/SA runs: '),0,wx.ALIGN_CENTER_VERTICAL) 757 Cchoice = ['1','2',' 3','6','10','20','30','60','100']757 Cchoice = ['1','2','4','8','16','32','64','128','256'] 758 758 cycles = wx.ComboBox(General,-1,value=str(MCSAdata.get('Cycles',1)),choices=Cchoice, 759 759 style=wx.CB_READONLY|wx.CB_DROPDOWN) -
trunk/GSASIIpwdGUI.py
r1205 r1207 2063 2063 2064 2064 ################################################################################ 2065 ##### SASD Contrast 2066 ################################################################################ 2067 2068 def UpdateContrastGrid(G2frame,data): 2069 '''respond to selection of SASD Contrast data tree item. 2070 ''' 2071 2072 def FillDefaultContrast(): 2073 data = {} 2074 2075 G2gd.SetDataMenuBar(G2frame,G2frame.dataFrame.ContrastMenu) 2076 if not G2frame.dataFrame.GetStatusBar(): 2077 Status = G2frame.dataFrame.CreateStatusBar() 2078 if not len(data): 2079 FillDefaultContrast() 2080 G2frame.dataDisplay = wx.Panel(G2frame.dataFrame) 2081 2082 2083 ################################################################################ 2065 2084 ##### SASD Models 2066 2085 ################################################################################ … … 2083 2102 if not G2frame.dataFrame.GetStatusBar(): 2084 2103 Status = G2frame.dataFrame.CreateStatusBar() 2085 if not len(data ['Model']):2104 if not len(data): 2086 2105 FillDefaultModel() 2087 2106 G2frame.dataDisplay = wx.Panel(G2frame.dataFrame)
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