Changeset 821

Timestamp:

Jan 4, 2013 9:21:47 AM (10 years ago)

Author:

vondreele

Message:

fixes to Pawley restraint etc.

Location:

trunk

Files:

• GSASIIphsGUI.py (modified) (4 diffs)
• GSASIIstruct.py (modified) (2 diffs)

trunk/GSASIIphsGUI.py

@@ -765 +765 @@
                 except ValueError:
                     pass
-                pawlNegWt.SetValue("%.3g"%(generalData['Pawley neg wt']))          #reset in case of error                
+                pawlNegWt.SetValue("%.2f"%(generalData['Pawley neg wt']))          #reset in case of error                
 
             pawleySizer = wx.BoxSizer(wx.HORIZONTAL)
@@ -779 +779 @@
             pawleySizer.Add(pawlVal,0,wx.ALIGN_CENTER_VERTICAL)
             pawleySizer.Add(wx.StaticText(dataDisplay,label=' Pawley neg. wt.: '),0,wx.ALIGN_CENTER_VERTICAL)
-            pawlNegWt = wx.TextCtrl(dataDisplay,value='%.3g'%(generalData['Pawley neg wt']),style=wx.TE_PROCESS_ENTER)
+            pawlNegWt = wx.TextCtrl(dataDisplay,value='%.2f'%(generalData['Pawley neg wt']),style=wx.TE_PROCESS_ENTER)
             pawlNegWt.Bind(wx.EVT_TEXT_ENTER,OnPawleyNegWt)        
             pawlNegWt.Bind(wx.EVT_KILL_FOCUS,OnPawleyNegWt)
@@ -884 +884 @@
                 except ValueError:
                     pass
-                kMax.SetValue("%.0f"%(Flip['k-Max']))          #reset in case of error
+                kMax.SetValue("%.1f"%(Flip['k-Max']))          #reset in case of error
 
             refList = data['Histograms'].keys()
@@ -911 +911 @@
             line2Sizer.Add(kFactor,0,wx.ALIGN_CENTER_VERTICAL)
             line2Sizer.Add(wx.StaticText(dataDisplay,label=' k-Max (>=10.0): '),0,wx.ALIGN_CENTER_VERTICAL)
-            kMax = wx.TextCtrl(dataDisplay,value='%.0f'%(Flip['k-Max']),style=wx.TE_PROCESS_ENTER)
+            kMax = wx.TextCtrl(dataDisplay,value='%.1f'%(Flip['k-Max']),style=wx.TE_PROCESS_ENTER)
             kMax.Bind(wx.EVT_TEXT_ENTER,OnkMax)        
             kMax.Bind(wx.EVT_KILL_FOCUS,OnkMax)

trunk/GSASIIstruct.py

@@ -2054 +2054 @@
         if 'PWLref' in item and parmDict[item] < 0.:
             pId = int(item.split(':')[0])
-            pNames.append(item)
-            pVals.append(-parmDict[item])
-            pWt.append(negWt[pId])
+            if negWt[pId]:
+                pNames.append(item)
+                pVals.append(-parmDict[item])
+                pWt.append(negWt[pId])
     pVals = np.array(pVals)
     pWt = np.array(pWt)
@@ -2065 +2066 @@
     pDerv = np.zeros((len(varyList),len(pVal)))
     for phase in Phases:
+        if phase not in restraintDict:
+            continue
         pId = Phases[phase]['pId']
         General = Phases[phase]['General']