def testTokenizerFileHeader(self): # fold>> data = FileSnippets.fileHeader()+"\n" writeToTestFile(data) tokens = Dalton.tokenizeOutFile(testFilePath()) self.assertEqual(len(tokens), 1) self.assertEqual(tokens[0].__class__, Tokens.FileHeaderToken)
def testAtomsAndBasisSetsTokenNotMatching(self): # fold>> data = FileSnippets.fileHeader() writeToTestFile(data) reader = FileReader.FileReader(testFilePath()) start_pos = reader.currentPos() token = Tokens.AtomsAndBasisSetsToken.match(reader) self.assertEqual(token, None) self.assertEqual(reader.currentPos(), start_pos)
def testNormalModesEigenvaluesTokenNotMatching(self): # fold>> data = FileSnippets.fileHeader() writeToTestFile(data) reader = FileReader.FileReader(testFilePath()) start_pos = reader.currentPos() token = Tokens.NormalModesEigenvaluesToken.match(reader) self.assertEqual(token, None) self.assertEqual(reader.currentPos(), start_pos)
def testOptimizationNextGeometryTokenNotMatching(self): # fold>> data = FileSnippets.fileHeader() writeToTestFile(data) reader = FileReader.FileReader(testFilePath()) start_pos = reader.currentPos() token = Tokens.OptimizationNextGeometryToken.match(reader) self.assertEqual(token, None) self.assertEqual(reader.currentPos(), start_pos)
def testFileHeaderToken(self): # fold>> data = FileSnippets.fileHeader() writeToTestFile(data) reader = FileReader.FileReader(testFilePath()) start_pos = reader.currentPos() token = Tokens.FileHeaderToken.match(reader) self.assertEqual(token.__class__, Tokens.FileHeaderToken) self.assertEqual(reader.currentPos(), start_pos + 1)
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)