Changeset 4822 for trunk/GSASIIconstrGUI.py

Timestamp:

Feb 20, 2021 9:43:32 AM (10 months ago)

Author:

toby

Message:

Warn if param limits on constrained vars

File:

• trunk/GSASIIconstrGUI.py (modified) (16 diffs)

trunk/GSASIIconstrGUI.py

@@ -353 +353 @@
         return self.data
         
-################################################################################
-#####  Constraints
-################################################################################           
+#####  Constraints ################################################################################           
 def UpdateConstraints(G2frame,data):
     '''Called when Constraints tree item is selected.
@@ -655 +653 @@
         return constDictList,phaseDict,fixedList
             
-    def ConstraintsCheck(data,newcons=[]):
+    def ConstraintsCheck(data,newcons=[],reqVaryList=None):
         '''Load constraints & check them for errors. Since error checking
         can cause changes in constraints in case of repairable conflicts
@@ -661 +659 @@
         This could probably be done more effectively, but only reloading when
         needed, but the reload should be quick.
+        
+        When reqVaryList is included (see WarnConstraintLimit) then 
+        parameters with limits are checked against constraints and a 
+        warning is shown.
         '''
         constDictList,phaseDict,fixedList = ConstraintsLoad(data,newcons)
@@ -669 +671 @@
         # reload constraints in case any were merged in MoveConfEquiv
         ConstraintsLoad(data,newcons)
+        impossible = []
+        if reqVaryList:
+            Controls = G2frame.GPXtree.GetItemPyData(G2gd.GetGPXtreeItemId(G2frame,G2frame.root, 'Controls'))
+            for key in ('parmMinDict','parmMaxDict','parmFrozen'):
+                if key not in Controls: Controls[key] = {}
+            varyList = reqVaryList[:]
+            try:
+                G2mv.GenerateConstraints(varyList,constDictList,fixedList,phaseDict)
+                G2mv.Map2Dict(phaseDict,varyList)
+                # check for limits on dependent vars
+                consVars = [i for i in reqVaryList if i not in varyList]
+                impossible = set(
+                    [str(i) for i in Controls['parmMinDict'] if i in consVars] + 
+                    [str(i) for i in Controls['parmMaxDict'] if i in consVars])
+            except G2mv.ConstraintException:
+                pass
+        if impossible:
+            msg = ''
+            for i in sorted(impossible):
+                if msg: msg += ', '
+                msg += i
+            msg =  ' &'.join(msg.rsplit(',',1))
+            msg = ('Note: limits on variable(s) '+msg+
+            ' will be ignored because they are constrained.')
+            G2G.G2MessageBox(G2frame,msg,'Limits ignored for constrained vars')
         return res
 
@@ -695 +722 @@
             print ('Unexpected contraint warning:\n'+warnmsg)
         return True
+
+    def WarnConstraintLimit():
+        '''Check if constraints reference variables with limits.
+        Displays a warning message, but does nothing
+        '''
+        
+        try:
+            parmDict,reqVaryList = G2frame.MakeLSParmDict()
+            errmsg,warnmsg = ConstraintsCheck(data,[],reqVaryList)
+        except:
+            print('Error retrieving parameters')            
+
 
     def CheckChangedConstraint():
@@ -884 +923 @@
                     data[constrDictEnt] += newcons
         dlg.Destroy()
+        WarnConstraintLimit()
         wx.CallAfter(OnPageChanged,None)
                         
@@ -983 +1023 @@
                 if CheckAddedConstraint(newcons):
                     data[constrDictEnt] += newcons
+        WarnConstraintLimit()
         wx.CallAfter(OnPageChanged,None)
                         
@@ -1306 +1347 @@
     def SetStatusLine(text):
         G2frame.GetStatusBar().SetStatusText(text,1)
-
-    # UpdateConstraints execution starts here
+        
+    def OnShowISODISTORT(event):
+        ShowIsoDistortCalc(G2frame)
+
+    #### UpdateConstraints execution starts here ##############################
     if not data:
         data.update({'Hist':[],'HAP':[],'Phase':[],'Global':[]})       #empty dict - fill it
     if 'Global' not in data:                                            #patch
         data['Global'] = []
-    # DEBUG code ########################################
+    # DEBUG code #=====================================
     #import GSASIIconstrGUI
     #reload(GSASIIconstrGUI)
@@ -1321 +1365 @@
     #reload(G2mv)
     #reload(G2gd)
-    ###################################################
+    #===================================================
     Histograms,Phases = G2frame.GetUsedHistogramsAndPhasesfromTree()
     if not len(Phases) or not len(Histograms):
@@ -1335 +1379 @@
             G2frame.dataWindow.ConstraintEdit.Enable(G2G.wxID_SHOWISO,True)
             break
-    ##################################################################################
-    # patch: convert old-style (str) variables in constraints to G2VarObj objects
+    ###### patch: convert old-style (str) variables in constraints to G2VarObj objects #####
     for key,value in data.items():
         if key.startswith('_'): continue
@@ -1348 +1391 @@
         if j:
             print (str(key) + ': '+str(j)+' variable(s) as strings converted to objects')
-    ##################################################################################
+    ##### end patch #############################################################################
     rigidbodyDict = G2frame.GPXtree.GetItemPyData(
         G2gd.GetGPXtreeItemId(G2frame,G2frame.root,'Rigid bodies'))
@@ -1426 +1469 @@
     G2frame.Bind(wx.EVT_MENU, OnAddAtomEquiv, id=G2G.wxID_EQUIVALANCEATOMS)
 #    G2frame.Bind(wx.EVT_MENU, OnAddRiding, id=G2G.wxID_ADDRIDING)
-    def OnShowISODISTORT(event):
-        ShowIsoDistortCalc(G2frame)
     G2frame.Bind(wx.EVT_MENU, OnShowISODISTORT, id=G2G.wxID_SHOWISO)
     # tab commands
@@ -1462 +1503 @@
         print (errmsg)
         print (G2mv.VarRemapShow([],True))
+        return
     elif warnmsg:
         print ('Unexpected contraint warning:\n'+warnmsg)
+    WarnConstraintLimit()
         
-################################################################################
-# check scale & phase fractions, create constraint if needed
-################################################################################
+###### check scale & phase fractions, create constraint if needed #############
 def CheckAllScalePhaseFractions(G2frame):
     '''Check if scale factor and all phase fractions are refined without a constraint
@@ -1527 +1568 @@
     Constraints['HAP'] += [constr]
         
-################################################################################
-#### Make nuclear/magnetic phase transition constraints - called by OnTransform in G2phsGUI
-################################################################################        
-        
+#### Make nuclear/magnetic phase transition constraints - called by OnTransform in G2phsGUI ##########
 def TransConstraints(G2frame,oldPhase,newPhase,Trans,Vec,atCodes):
     '''Add constraints for new magnetic phase created via transformation of old
@@ -1752 +1790 @@
             constraints['HAP'].append([IndpCon,DepCons,None,None,'e'])
         
-################################################################################
-#### Rigid bodies
-################################################################################
+#### Rigid bodies #############################################################
 resRBsel = None
 def UpdateRigidBodies(G2frame,data):
@@ -3648 +3684 @@
         G2frame.GetStatusBar().SetStatusText(text,1)                                      
 
-    #================== UpdateRigidBodies starts here =========
+    #### UpdateRigidBodies starts here =========
     global resList,resRBsel            
     if not data.get('RBIds') or not data: