deal with phase import (CIF) problems: unparsable sym ops; better reporting of warnings

Author: briantoby

GSASII/GSASIIdataGUI.py

@@ -1061,8 +1061,11 @@ def OnImportGeneric(self,reader,readerlist,label,multiple=False,
                         errorReport += ': '+rd.errors
                 if rd_list: # read succeeded, was there a warning or any errors?
                     if rd.warnings:
-                        self.ErrorDialog('Read Warning','The '+ rd.formatName+
-                            ' reader reported a warning message:\n\n'+rd.warnings)
+#                        self.ErrorDialog('Read Warning','The '+ rd.formatName+
+#                            ' reader reported warning message(s):\n\n'+rd.warnings)
+                        msg = f'The {rd.formatName} reader reported warning message(s):\n\n{rd.warnings}'
+                        print(msg)
+                        G2G.ShowScrolledInfo(self,msg,header='Read Warning')
                     break # success in reading, try no further
             else:
                 if singlereader:

GSASII/GSASIIspc.py

@@ -3911,7 +3911,11 @@ def CompareSym(symList,sgName=None,SGData=None):
         raise Exception('CompareSym called without symmetry input')
 
     for sym in symList:
-        syMat = ParseXYZ(sym)
+        try:
+            syMat = ParseXYZ(sym)
+        except:
+            print(f'Ignoring unparsable sym op {sym}')
+            continue
 
         for i,mat in enumerate(matList):
             if np.allclose(mat[0],syMat[0]) and np.allclose(offsetNorm(mat[1]),offsetNorm(syMat[1])):

GSASII/imports/G2phase_CIF.py

@@ -516,7 +516,7 @@ def Reader(self,filename, ParentFrame=None, usedRanIdList=[], **unused):
                 self.Phase['Atoms'].append(atomlist)
                 ranIdlookup[atomlist[0]] = atomlist[-1]
                 if atomlist[0] in atomlbllist:
-                    self.warnings += ' ERROR: repeated atom label: '+atomlist[0]
+                    self.warnings += f' note: repeated atom label: {atomlist[0]}\n'
                 else:
                     atomlbllist.append(atomlist[0])