[ck2cti] Show name of species with undefined elements in error message

Cantera · Feb 18, 2019 · d04fd8c · d04fd8c
1 parent aa9721d
commit d04fd8c
Showing 1 changed file with 5 additions and 6 deletions.
diff --git a/interfaces/cython/cantera/ck2cti.py b/interfaces/cython/cantera/ck2cti.py
@@ -1995,17 +1995,16 @@ def parseTransportData(self, lines, filename, line_offset):
 
     def getSpeciesString(self, speciesList, indent):
         speciesNameLength = 1
-        elementsFromSpecies = set()
+        allElements = set(self.elements)
         for s in speciesList:
             if s.composition is None:
                 raise InputParseError('No thermo data found for species: {0!r}'.format(s.label))
-            elementsFromSpecies.update(s.composition)
+            missingElements = set(s.composition) - allElements
+            if missingElements:
+                raise InputParseError("Undefined elements in species '{}':"
+                    " {}".format(s.label, ','.join(repr(e) for e in missingElements)))
             speciesNameLength = max(speciesNameLength, len(s.label))
 
-        missingElements = elementsFromSpecies - set(self.elements)
-        if missingElements:
-            raise InputParseError('Undefined elements: ' + str(missingElements))
-
         speciesNames = ['']
         speciesPerLine = max(int((80-indent)/(speciesNameLength + 2)), 1)