numpy.alltrue - python examples

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145 Examples 7

3 View Complete Implementation : testutils.py
Copyright MIT License
Author : PacktPublishing
def fail_if_array_equal(x, y, err_msg='', verbose=True):
    """
    Raises an astertion error if two masked arrays are not equal elementwise.

    """
    def compare(x, y):
        return (not np.alltrue(approx(x, y)))
    astert_array_compare(compare, x, y, err_msg=err_msg, verbose=verbose,
                         header='Arrays are not equal')

3 View Complete Implementation : testutils.py
Copyright MIT License
Author : PacktPublishing
def fail_if_array_equal(x, y, err_msg='', verbose=True):
    """
    Raises an astertion error if two masked arrays are not equal elementwise.

    """
    def compare(x, y):
        return (not np.alltrue(approx(x, y)))
    astert_array_compare(compare, x, y, err_msg=err_msg, verbose=verbose,
                         header='Arrays are not equal')

3 View Complete Implementation : testutils.py
Copyright MIT License
Author : PacktPublishing
def fail_if_array_equal(x, y, err_msg='', verbose=True):
    """
    Raises an astertion error if two masked arrays are not equal elementwise.

    """
    def compare(x, y):
        return (not np.alltrue(approx(x, y)))
    astert_array_compare(compare, x, y, err_msg=err_msg, verbose=verbose,
                         header='Arrays are not equal')

3 View Complete Implementation : testutils.py
Copyright MIT License
Author : PacktPublishing
def fail_if_array_equal(x, y, err_msg='', verbose=True):
    """
    Raises an astertion error if two masked arrays are not equal elementwise.

    """
    def compare(x, y):
        return (not np.alltrue(approx(x, y)))
    astert_array_compare(compare, x, y, err_msg=err_msg, verbose=verbose,
                         header='Arrays are not equal')

3 View Complete Implementation : testutils.py
Copyright MIT License
Author : PacktPublishing
def fail_if_array_equal(x, y, err_msg='', verbose=True):
    """
    Raises an astertion error if two masked arrays are not equal elementwise.

    """
    def compare(x, y):
        return (not np.alltrue(approx(x, y)))
    astert_array_compare(compare, x, y, err_msg=err_msg, verbose=verbose,
                         header='Arrays are not equal')

3 View Complete Implementation : testutils.py
Copyright MIT License
Author : PacktPublishing
def fail_if_array_equal(x, y, err_msg='', verbose=True):
    """
    Raises an astertion error if two masked arrays are not equal elementwise.

    """
    def compare(x, y):
        return (not np.alltrue(approx(x, y)))
    astert_array_compare(compare, x, y, err_msg=err_msg, verbose=verbose,
                         header='Arrays are not equal')

3 View Complete Implementation : test_sdf_file_parser.py
Copyright MIT License
Author : chainer
def test_sdf_file_parser_return_is_successful(sdf_file_long, mols):
    """test `labels` option and retain_smiles=True."""
    preprocessor = NFPPreprocessor(max_atoms=10)
    parser = SDFFileParser(preprocessor)
    result = parser.parse(sdf_file_long,
                          return_smiles=True, return_is_successful=True)

    dataset = result['dataset']
    # smiles = result['smiles']
    astert len(dataset) == 3
    is_successful = result['is_successful']
    astert len(is_successful) == 5
    astert numpy.alltrue(is_successful[[1, 3, 4]])
    astert numpy.alltrue(~is_successful[[0, 2]])

    # We astume NFPPreprocessor works as docameented.
    for i in range(3):
        expect = preprocessor.get_input_features(mols[i])
        check_input_features(dataset[i], expect)

3 View Complete Implementation : xyz_functions.py
Copyright GNU Lesser General Public License v3.0
Author : mcocdawc
def allclose(a, b, align=False, rtol=1.e-5, atol=1.e-8):
    """Compare two molecules for numerical equality.

    Args:
        a (Cartesian):
        b (Cartesian):
        align (bool): a and b are
            prealigned along their principal axes of inertia and moved to their
            barycenters before comparing.
        rtol (float): Relative tolerance for the numerical equality comparison
            look into :func:`numpy.allclose` for further explanation.
        atol (float): Relative tolerance for the numerical equality comparison
            look into :func:`numpy.allclose` for further explanation.

    Returns:
        bool:
    """
    return np.alltrue(isclose(a, b, align=align, rtol=rtol, atol=atol))

3 View Complete Implementation : _zmat_class_core.py
Copyright GNU Lesser General Public License v3.0
Author : mcocdawc
    def _test_if_can_be_added(self, other):
        cols = ['atom', 'b', 'a', 'd']
        if not (np.alltrue(self.loc[:, cols] == other.loc[:, cols])
                and np.alltrue(self.index == other.index)):
            message = ("You can add only those zmatrices that have the same "
                       "index, use the same construction table, have the same "
                       "ordering... The only allowed difference is in the "
                       "columns ['bond', 'angle', 'dihedral']")
            raise PhysicalMeaning(message)

3 View Complete Implementation : test_core.py
Copyright GNU Lesser General Public License v3.0
Author : mcocdawc
def test_cut_cuboid():
    expected = {3, 4, 5, 6, 7, 15, 16, 17, 32, 35, 37, 38, 47, 52, 53, 55, 56}
    astert expected == set(molecule.cut_cuboid(a=2, origin=7).index)
    astert np.alltrue(
        molecule == molecule.cut_cuboid(a=2, origin=7,
                                        preserve_bonds=True))
    astert (set(molecule.index) - expected
            == set(molecule.cut_cuboid(a=2, origin=7,
                                       outside_sliced=False).index))