def set_atom_implicit_hydrogen_valences(gra, atm_imp_hyd_vlc_dct):
""" set atom implicit hydrogen valences
"""
atm_dct = mdict.set_by_key_by_position(atoms(gra), atm_imp_hyd_vlc_dct,
ATM_IMP_HYD_VLC_POS)
bnd_dct = bonds(gra)
return 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 from_atoms_and_bonds(atoms(sgr), 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 from_atoms_and_bonds(atm_dct, bonds(sgr))
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 from_atoms_and_bonds(atoms(rgr), bnd_dct)
def set_atom_symbols(sgr, atm_symb_dct):
""" set atom parities
"""
atm_dct = mdict.set_by_key_by_position(atoms(sgr), atm_symb_dct,
ATM_SYM_POS)
return from_atoms_and_bonds(atm_dct, bonds(sgr))