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)