Changeset 4914

Timestamp:

May 25, 2021 2:37:39 PM (3 years ago)

Author:

toby

Message:

ignore & highlight bad General Restraints; minor GUI fixes

Location:

trunk

Files:

• GSASIIctrlGUI.py (modified) (1 diff)
• GSASIIphsGUI.py (modified) (3 diffs)
• GSASIIrestrGUI.py (modified) (3 diffs)
• GSASIIstrMath.py (modified) (1 diff)

trunk/GSASIIctrlGUI.py

@@ -4881 +4881 @@
 
     def Reset(self):
-        self._tc.SetValue(self.startValue)
+        self._tc.SetValue(str(self.startValue))
         self._tc.SetInsertionPointEnd()
 

trunk/GSASIIphsGUI.py

@@ -3424 +3424 @@
             atomTable = G2G.Table(table,rowLabels=rowLabels,colLabels=colLabels,types=Types)
             try:
-                Atoms.SetTable(atomTable, True)    # Paint may be called after the Grid has been deleted
+                Atoms.SetTable(atomTable, True, useFracEdit=False)    # Paint may be called after the Grid has been deleted
             except:
                 return
@@ -6697 +6697 @@
             atomTable = G2G.Table(table,rowLabels=rowLabels,colLabels=colLabels,types=colTypes)
             atomGrid = G2G.GSGrid(layerData)
-            atomGrid.SetTable(atomTable,True)
+            atomGrid.SetTable(atomTable,True,useFracEdit=False)
 #            atomGrid.SetScrollRate(0,0)    #get rid of automatic scroll bars
             # loop over all cols in table, set cell editor for numerical items
@@ -6785 +6785 @@
                 transTable = G2G.Table(table,rowLabels=rowLabels,colLabels=transLabels,types=transTypes)
                 transGrid = G2G.GSGrid(layerData)
-                transGrid.SetTable(transTable,True)
+                transGrid.SetTable(transTable,True,useFracEdit=False)
 #                transGrid.SetScrollRate(0,0)    #get rid of automatic scroll bars
                 Indx[transGrid.GetId()] = Yi

trunk/GSASIIrestrGUI.py

@@ -2001 +2001 @@
         if generalRestData['General']:
             parmDict = SetupParmDict(G2frame)
-            GridSiz = wx.FlexGridSizer(0,7,10,2)
-            for lbl in ('expression =','target\nvalue','current\nvalue','esd'):
+            GridSiz = wx.FlexGridSizer(0,9,10,2)
+            GridSiz.Add((-1,-1))
+            GridSiz.Add(
+                    wx.StaticText(GeneralRestr,wx.ID_ANY,'Expression'),
+                    0,wx.ALIGN_LEFT|wx.ALIGN_CENTER_VERTICAL)
+            GridSiz.Add((-1,-1))
+#            for lbl in ('expression',' ','target\nvalue','current\nvalue','esd'):
+            for lbl in ('target\nvalue','current\nvalue','esd'):
                 GridSiz.Add(
                     wx.StaticText(GeneralRestr,wx.ID_ANY,lbl,style=wx.CENTER),
@@ -2013 +2019 @@
             for i,rest in enumerate(generalRestData['General']):
                 eq = rest[0]
-                txt = eq.expression+' ='
+                txt = '{}: '.format(i+1)
+                GridSiz.Add(wx.StaticText(GeneralRestr,wx.ID_ANY,txt))
+                txt = eq.expression
                 if len(txt) > 50:
                     txt = txt[:47]+'... '
-                GridSiz.Add(wx.StaticText(GeneralRestr,wx.ID_ANY,txt))
+                txtC = wx.StaticText(GeneralRestr,wx.ID_ANY,txt)
+                GridSiz.Add(txtC)
+                GridSiz.Add(wx.StaticText(GeneralRestr,wx.ID_ANY,' = '))
                 GridSiz.Add(
                     G2G.ValidatedTxtCtrl(GeneralRestr,rest,1,nDig=(10,3,'g'),typeHint=float)
@@ -2027 +2037 @@
                 except:
                     txt = ' (error) '
+                    txtC.SetForegroundColour("red")
                 GridSiz.Add(wx.StaticText(GeneralRestr,wx.ID_ANY,txt))
                 GridSiz.Add(

trunk/GSASIIstrMath.py

@@ -422 +422 @@
                 elif name == 'General':
                     for i,(eq,obs,esd) in enumerate(itemRest[rest]):
-                        pNames.append(str(pId)+':'+name+':'+str(i))
                         calcobj = G2obj.ExpressionCalcObj(eq)
                         calcobj.SetupCalc(parmDict)
                         calc = calcobj.EvalExpression()
-                        pVals.append(obs-calc)
-                        pWt.append(wt/esd**2)                    
-                        pWsum[name] += wt*((obs-calc)/esd)**2
-                        pWnum[name] += 1
-        
+                        try:
+                            pVals.append(obs-calc)
+                            pWt.append(wt/esd**2)                    
+                            pWsum[name] += wt*((obs-calc)/esd)**2
+                            pWnum[name] += 1
+                            pNames.append(str(pId)+':'+name+':'+str(i))
+                        except:
+                            print('Error computing General restraint #{}'.format(i+1))
     for phase in Phases:
         name = 'SH-Pref.Ori.'