Python guess_masses示例

示例#1

 def test_guess_masses_miss(self):
     out = guessers.guess_masses(['X', 'Z'])
     assert_equal(out, np.array([0.0, 0.0]))

示例#2

 def test_guess_masses_warn(self):
     with pytest.warns(UserWarning):
         guessers.guess_masses(['X'])

示例#3

    def test_guess_masses(self):
        out = guessers.guess_masses(['C', 'C', 'H'])

        assert isinstance(out, np.ndarray)
        assert_equal(out, np.array([12.011, 12.011, 1.008]))

示例#4

文件： test_guessers.py 项目： MDAnalysis/mdanalysis

 def test_guess_masses_miss(self):
     out = guessers.guess_masses(['X', 'Z'])
     assert_equal(out, np.array([0.0, 0.0]))

示例#5

文件： test_guessers.py 项目： MDAnalysis/mdanalysis

 def test_guess_masses_warn(self):
     with pytest.warns(UserWarning):
         guessers.guess_masses(['X'])

示例#6

文件： test_guessers.py 项目： MDAnalysis/mdanalysis

    def test_guess_masses(self):
        out = guessers.guess_masses(['C', 'C', 'H'])

        assert isinstance(out, np.ndarray)
        assert_equal(out, np.array([12.011, 12.011, 1.008]))