Changeset 3371

Timestamp:

May 4, 2018 5:57:13 PM (5 years ago)

Author:

toby

Message:

constraint fixes: implement wild-card equivalences, fix use of all for phase selection in atom vars; prevent use of Edit Constr menu items for sym-generated equivalences

Location:

trunk

Files:

• GSASIIconstrGUI.py (modified) (6 diffs)
• GSASIIdataGUI.py (modified) (1 diff)
• GSASIImapvars.py (modified) (9 diffs)
• GSASIIstrMain.py (modified) (2 diffs)

trunk/GSASIIconstrGUI.py

@@ -453 +453 @@
                 elif l[3] == "all":
                     for ph in phlist:
-                        key = G2obj.LookupPhaseName(l[0])[0]
+                        key = G2obj.LookupPhaseName(ph)[0]
                         for hst in hstlist: # should be blank
                             for iatm,at in enumerate(Phases[key]['Atoms']):
@@ -461 +461 @@
                 elif '=' in l[3]:
                     for ph in phlist:
-                        key = G2obj.LookupPhaseName(l[0])[0]
+                        key = G2obj.LookupPhaseName(ph)[0]
                         cx,ct,cs,cia = Phases[key]['General']['AtomPtrs']
                         for hst in hstlist: # should be blank
@@ -472 +472 @@
                 else:
                     for ph in phlist:
-                        key = G2obj.LookupPhaseName(l[0])[0]
+                        key = G2obj.LookupPhaseName(ph)[0]
                         for hst in hstlist: # should be blank
                             var = ph + ":" + hst + ":" + l[2] + ":" + l[3]
@@ -606 +606 @@
         page = G2frame.Page
         vartype,varList,constrDictEnt = PageSelection(page)
+        if vartype is None: return
         varList = G2obj.SortVariables(varList)
-        if vartype is None: return
         title1 = "Hold "+vartype+" variable"
         if not varList:
@@ -1081 +1081 @@
         G2frame.dataWindow.ConstraintEdit.Enable(G2G.wxID_EQUIVALANCEATOMS,False)
 #        G2frame.dataWindow.ConstraintEdit.Enable(G2G.wxID_ADDRIDING,False)
+        enableEditCons = True
         if text == 'Histogram/Phase':
             G2frame.Page = [page,'hap']
@@ -1100 +1101 @@
             UpdateConstraintPanel(GlobalConstr,'Global')
         else:
+            enableEditCons = False
             G2frame.Page = [page,'sym']
-            UpdateConstraintPanel(SymConstr,'Sym-Generated')            
+            UpdateConstraintPanel(SymConstr,'Sym-Generated')
+        # remove menu items when not allowed
+        for i in G2frame.dataWindow.ConstraintEdit.GetMenuItems(): 
+            i.Enable(enableEditCons)
         G2frame.dataWindow.SetDataSize()
 

trunk/GSASIIdataGUI.py

@@ -4271 +4271 @@
             G2mv.GenerateConstraints(groups,parmlist,varyList,constrDict,fixedList,parmValDict)
             G2mv.Map2Dict(parmValDict,varyList)
-        except:
+        except G2mv.ConstraintException:
             pass
         wx.EndBusyCursor()

trunk/GSASIImapvars.py

@@ -242 +242 @@
 paramPrefix = "::constr"
 consNum = 0 # number of the next constraint to be created
+
+class ConstraintException(Exception):
+    '''Defines an Exception that is used when an exception is raised processing constraints
+    '''
+    pass
 
 def InitVars():
@@ -575 +580 @@
         if multarr is None: # true only if an equivalence
             zeromult = False
-            for mv in mapvars:
+            for i,mv in enumerate(mapvars):
+                if mv.split(':')[1] == '*' and SeqHist is not None:
+                    # convert wildcard var to reference current histogram; save translation in table
+                    sv = mv.split(':')
+                    sv[1] = str(SeqHist)
+                    mv = translateTable[mv] = ':'.join(sv)
+                    mapvars[i] = mv
                 #s = ''
                 varied = 0
@@ -589 +600 @@
                     #msg += "\nCannot equivalence to variable "+str(mv)+". Not defined in this refinement"
                     #continue
-            for v,m in zip(varlist,invmultarr):
+            for i,(v,m) in enumerate(zip(varlist,invmultarr)):
+                if v.split(':')[1] == '*' and SeqHist is not None:
+                    # convert wildcard var to reference current histogram; save translation in table
+                    sv = v.split(':')
+                    sv[1] = str(SeqHist)
+                    varlist[i] = v = translateTable[v] = ':'.join(sv)
                 if parmDict is not None and v not in parmDict:
                     print ("Dropping equivalence for dep. variable "+str(v)+". Not defined in this refinement")
@@ -661 +677 @@
             print (' *** ERROR in constraint definitions! ***')
             print (msg)
-            raise Exception
+            raise ConstraintException
         print ('*** Sequential refinement: ignoring constraint definition(s): ***')
         print (shortmsg)
@@ -670 +686 @@
         print (' *** ERROR in constraint definitions! ***')
         print (msg)
-        raise Exception
+        raise ConstraintException
                 
     # now process each group and create the relations that are needed to form
@@ -762 +778 @@
         print (msg)
         print (VarRemapShow(varyList))
-        raise Exception
+        raise ConstraintException
     # setup dictionary containing the fixed values
     global fixedDict 
@@ -821 +837 @@
     arrayList.append(None)
     invarrayList.append(np.array(multlist))
-    indParmList.append(tuple((independentVar,)))
+    indParmList.append(list((independentVar,)))
     dependentParmList.append(mapList)
     symGenList.append(symGen)
@@ -1162 +1178 @@
             a[j] -= proj(a[i],a[j])
         if np.allclose(np.linalg.norm(a[j]),0.0):
-            raise Exception("Singular input to GramSchmidtOrtho")
+            raise ConstraintException("Singular input to GramSchmidtOrtho")
         a[j] /= np.linalg.norm(a[j])
     return a
@@ -1197 +1213 @@
             return
     else:
-        raise Exception('Singular input')
+        raise ConstraintException('Singular input')
 
 def _RowEchelon(m,arr,collist):

trunk/GSASIIstrMain.py

@@ -204 +204 @@
         #print 'DependentVars',G2mv.GetDependentVars()
         #print 'IndependentVars',G2mv.GetIndependentVars()
-    except:
+    except G2mv.ConstraintException:
         print (' *** ERROR - your constraints are internally inconsistent ***')
         #errmsg, warnmsg = G2mv.CheckConstraints(varyList,constrDict,fixedList)
@@ -388 +388 @@
             groups,parmlist = G2mv.GroupConstraints(constrDict)
             G2mv.GenerateConstraints(groups,parmlist,varyList,constrDict,fixedList,parmDict,SeqHist=ihst)
+            #print (G2mv.VarRemapShow(varyList,True))
             constraintInfo = (groups,parmlist,constrDict,fixedList,ihst)
-        except:
+        except G2mv.ConstraintException:
             print (' *** ERROR - your constraints are internally inconsistent ***')
             #errmsg, warnmsg = G2mv.CheckConstraints(varyList,constrDict,fixedList)