def testTokenizerCenterOfMass(self): # fold>> data = FileSnippets.centerOfMass()+"\n" writeToTestFile(data) tokens = Dalton.tokenizeOutFile(testFilePath()) self.assertEqual(len(tokens), 1) self.assertEqual(tokens[0].__class__, Tokens.CenterOfMassToken)
def testCenterOfMassTokenNotMatching(self): # fold>> data = FileSnippets.centerOfMass() writeToTestFile("\n" + data) reader = FileReader.FileReader(testFilePath()) start_pos = reader.currentPos() token = Tokens.CenterOfMassToken.match(reader) self.assertEqual(token, None) self.assertEqual(reader.currentPos(), start_pos)
def testTokenizer(self): # fold>> data = FileSnippets.fileHeader()+"\n"+ FileSnippets.centerOfMass()+"\n"+FileSnippets.isotopicMasses()+"\n"+FileSnippets.totalMass()+"\n"+FileSnippets.momentsOfInertia()+"\n" writeToTestFile(data) tokens = Dalton.tokenizeOutFile(testFilePath()) self.assertEqual(len(tokens), 5) self.assertEqual(tokens[0].__class__, Tokens.FileHeaderToken) self.assertEqual(tokens[1].__class__, Tokens.CenterOfMassToken) self.assertEqual(tokens[2].__class__, Tokens.IsotopicMassesToken) self.assertEqual(tokens[3].__class__, Tokens.TotalMassToken) self.assertEqual(tokens[4].__class__, Tokens.MomentsOfInertiaToken)
def testCenterOfMassToken(self): # fold>> data = FileSnippets.centerOfMass() writeToTestFile(data) reader = FileReader.FileReader(testFilePath()) start_pos = reader.currentPos() token = Tokens.CenterOfMassToken.match(reader) self.assertEqual(token.__class__, Tokens.CenterOfMassToken) self.assertEqual(reader.currentPos(), start_pos + 1) self.assertEqual(type(token.centerOfMass()), type(())) self.assertEqual(len(token.centerOfMass()), 3) self.assertEqual(token.centerOfMass()[0], "0.000000") self.assertEqual(token.centerOfMass()[1], "1.000000") self.assertEqual(token.centerOfMass()[2], "1.223609")