def set_atom_implicit_hydrogen_valences(xgr, atm_imp_hyd_vlc_dct): """ set atom implicit hydrogen valences """ atm_dct = mdict.set_by_key_by_position(atoms(xgr), atm_imp_hyd_vlc_dct, ATM_IMP_HYD_VLC_POS) bnd_dct = bonds(xgr) return _create.from_atoms_and_bonds(atm_dct, bnd_dct)
def set_bond_stereo_parities(sgr, bnd_par_dct): """ set bond parities """ bnd_dct = mdict.set_by_key_by_position(bonds(sgr), bnd_par_dct, BND_STE_PAR_POS) return _create.from_atoms_and_bonds(atoms(sgr), bnd_dct)
def set_bond_orders(rgr, bnd_ord_dct): """ set bond orders """ bnd_dct = mdict.set_by_key_by_position(bonds(rgr), bnd_ord_dct, BND_ORD_POS) return _create.from_atoms_and_bonds(atoms(rgr), bnd_dct)
def set_atom_stereo_parities(sgr, atm_par_dct): """ set atom parities """ atm_dct = mdict.set_by_key_by_position(atoms(sgr), atm_par_dct, ATM_STE_PAR_POS) return _create.from_atoms_and_bonds(atm_dct, bonds(sgr))