コード例 #1
0
    def testTokenizerDipoleMoment(self): # fold>>
        data = FileSnippets.dipoleMoment()+"\n"
        writeToTestFile(data)
        tokens = Dalton.tokenizeOutFile(testFilePath())

        self.assertEqual(len(tokens), 1)
        self.assertEqual(tokens[0].__class__, Tokens.DipoleMomentToken)
コード例 #2
0
    def testDipoleMomentToken(self):  # fold>>
        data = FileSnippets.dipoleMoment()
        writeToTestFile(data)

        reader = FileReader.FileReader(testFilePath())
        start_pos = reader.currentPos()
        token = Tokens.DipoleMomentToken.match(reader)

        self.assertEqual(token.__class__, Tokens.DipoleMomentToken)
        self.assertEqual(reader.currentPos(), start_pos + 4)

        dipole = token.dipole()

        self.assertAlmostEqual(dipole, 3.141592)