def testTokenizerDipoleMomentComponents(self): # fold>> data = FileSnippets.dipoleMomentComponents()+"\n" writeToTestFile(data) tokens = Dalton.tokenizeOutFile(testFilePath()) self.assertEqual(len(tokens), 1) self.assertEqual(tokens[0].__class__, Tokens.DipoleMomentComponentsToken)
def testDipoleMomentsComponents(self): # fold>> data = FileSnippets.dipoleMomentComponents() writeToTestFile(data) reader = FileReader.FileReader(testFilePath()) start_pos = reader.currentPos() token = Tokens.DipoleMomentComponentsToken.match(reader) self.assertEqual(token.__class__, Tokens.DipoleMomentComponentsToken) self.assertEqual(reader.currentPos(), start_pos + 8) dipole = token.dipole() self.assertAlmostEqual(dipole[0], 3.14159270) self.assertAlmostEqual(dipole[1], -1.23456789) self.assertAlmostEqual(dipole[2], 9.87654321)