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")