def sg_mol(**kwargs): kwargs['ret_geometry'] = True if 'geom' not in kwargs: kwargs['geom'] = self.mol return sgeom(**kwargs)
def test_cite(self): sgeom(argv=['--cite'])
def test_version(self): sgeom(argv=['--version'])
def test_help(self): with pytest.raises(SystemExit): sgeom(argv=['--help'])
def sg_g(**kwargs): kwargs['ret_geometry'] = True if 'geometry' not in kwargs: kwargs['geometry'] = self.g return sgeom(**kwargs)
def sg_mol(**kwargs): kwargs['ret_geometry'] = True if 'geom' not in kwargs: kwargs['geom'] = self.mol return sgeom(**kwargs)