def testTokenizerIsotopicMasses(self): # fold>>
data = FileSnippets.isotopicMasses()+"\n"
writeToTestFile(data)
tokens = Dalton.tokenizeOutFile(testFilePath())
self.assertEqual(len(tokens), 1)
self.assertEqual(tokens[0].__class__, Tokens.IsotopicMassesToken)
def testIsotopicMassesTokenNotMatching(self): # fold>>
data = FileSnippets.isotopicMasses()
writeToTestFile("\n" + data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.IsotopicMassesToken.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 testIsotopicMassesToken(self): # fold>>
data = FileSnippets.isotopicMasses()
writeToTestFile(data)
reader = FileReader.FileReader(testFilePath())
start_pos = reader.currentPos()
token = Tokens.IsotopicMassesToken.match(reader)
self.assertEqual(token.__class__, Tokens.IsotopicMassesToken)
self.assertEqual(reader.currentPos(), start_pos + 8)
atom_list = token.atomList()
self.assertEqual(type(atom_list), type([]))
self.assertEqual(len(atom_list), 4)
self.assertEqual(atom_list[0], ("O1", "", "15.994915"))
self.assertEqual(atom_list[1], ("H1", "1", "1.007825"))
self.assertEqual(atom_list[2], ("H1", "2", "1.007825"))
self.assertEqual(atom_list[3], ("C1", "", "12.000000"))