def test__atom_stereo_coordinates():
""" test graph.atom_stereo_coordinates
"""
for sgr in C2H2CL2F2_SGRS:
sgr = graph.explicit(sgr)
cgr = graph.without_stereo_parities(sgr)
atm_xyz_dct = graph.atom_stereo_coordinates(sgr)
assert graph.set_stereo_from_atom_coordinates(cgr, atm_xyz_dct) == sgr
for sgr in C3H5N3_SGRS:
sgr = graph.explicit(sgr)
cgr = graph.without_stereo_parities(sgr)
atm_xyz_dct = graph.atom_stereo_coordinates(sgr)
assert graph.set_stereo_from_atom_coordinates(cgr, atm_xyz_dct) == sgr
for sgr in C3H3CL2F3_SGRS:
sgr = graph.explicit(sgr)
cgr = graph.without_stereo_parities(sgr)
atm_xyz_dct = graph.atom_stereo_coordinates(sgr)
assert graph.set_stereo_from_atom_coordinates(cgr, atm_xyz_dct) == sgr
for sgr in C8H13O_SGRS:
sgr = graph.explicit(sgr)
cgr = graph.without_stereo_parities(sgr)
atm_xyz_dct = graph.atom_stereo_coordinates(sgr)
assert graph.set_stereo_from_atom_coordinates(cgr, atm_xyz_dct) == sgr
def test__without_stereo_parities():
""" test graph.without_stereo_parities
"""
assert C8H13O_CGR == graph.without_stereo_parities(C8H13O_SGR)
def test__graph__without_stereo_parities():
""" test graph.without_stereo_parities
"""
assert graph.without_stereo_parities(C8H13O_SGRS[0]) == C8H13O_CGR
def _have_no_stereo_assignments(gras):
return all(gra == without_stereo_parities(gra) for gra in gras)
def test__graph__without_bond_orders():
""" test graph.without_bond_orders
"""
assert graph.without_stereo_parities(C8H13O_RGRS[0]) == C8H13O_CGR