Ejemplo n.º 1
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    def test_get_coord_axes_bad_dims(self):
        """Test that ValueError is raised when
        numpy array with incorrect dimensions
        is fed to get_coord_axes()."""

        with self.assertRaises(ValueError):
            PSA.get_coord_axes(np.zeros((5, 5, 5, 5)))
Ejemplo n.º 2
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    def test_get_coord_axes_bad_dims(self):
        """Test that ValueError is raised when
        numpy array with incorrect dimensions
        is fed to get_coord_axes()."""

        with self.assertRaises(ValueError):
            PSA.get_coord_axes(np.zeros((5,5,5,5)))
Ejemplo n.º 3
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 def time_get_coord_axes(self, time_steps, n_atoms):
     """Benchmark get_coord_axes in psa module
     """
     psa.get_coord_axes(path=self.path)