Changeset 4505

Timestamp:

Jun 21, 2020 8:49:20 AM (3 years ago)

Author:

toby

Message:

more fixes to Res RB edit; tweak RB atom assignment displays

Location:

trunk

Files:

• GSASIIconstrGUI.py (modified) (1 diff)
• GSASIIphsGUI.py (modified) (5 diffs)

trunk/GSASIIconstrGUI.py

@@ -3170 +3170 @@
             def ChangeCell(event):
                 r,c =  event.GetRow(),event.GetCol()
-                if r >= 0 and (0 <= c < 3):
+                if c == 0:
+                    rbData['atNames'][r] = resGrid.GetCellValue(r,c)
+                if r >= 0 and (2 <= c <= 4):
                     try:
                         val = float(resGrid.GetCellValue(r,c))
-                        rbData['rbXYZ'][r][c] = val
+                        rbData['rbXYZ'][r][c-2] = val
                     except ValueError:
                         pass

trunk/GSASIIphsGUI.py

@@ -10060 +10060 @@
             atoms that should be matched.
             '''
-            UsedIds = []
-            for i in data['RBModels']: 
-                for j in data['RBModels'][i]:
-                    UsedIds += j['Ids']
             rbType = data['testRBObj']['rbType']
             rbObj = data['testRBObj']['rbObj']
@@ -10077 +10073 @@
             # categorize atoms by type, omitting any that are already assigned
             # in a rigid body
-            atmTypes = [None if atomData[i][-1] in UsedIds
+            atmTypes = [None if atomData[i][-1] in rbUsedIds
                             else atomData[i][ct]
                             for i in range(len(atomData))]
@@ -10217 +10213 @@
                 for i,l in enumerate(RigidBodies.atomsTable.data):
                     if l[4] == 'Create new':
+                        l[1:4] = -1,'?',-1
                         rbAssignments[i] = None
                         selDict[i] = None
@@ -10468 +10465 @@
             RigidBodies.atomsGrid = G2G.GSGrid(RigidBodies)
 
-            labelsChoices = ['         '] + [a[0] for a in data['Atoms']]
+            labelsChoices = ['         '] + [a[0] for a in data['Atoms']
+                                                 if a[-1] not in rbUsedIds]
             choiceeditor = wg.GridCellChoiceEditor(
                 labelsChoices+['Create new'], False)
@@ -10523 +10521 @@
         # start of OnRBAssign(event)
         rbAssignments = {}
+        rbUsedIds = []   # Ids of atoms in current phase used inside RBs
+        for i in data['RBModels']: 
+            for j in data['RBModels'][i]:
+                rbUsedIds += j['Ids']
         G2frame.GetStatusBar().SetStatusText('',1)
         RBData = G2frame.GPXtree.GetItemPyData(