def bond_neighbor_keys(xgr):
""" keys of neighboring bonds, by bond
"""
def _neighbor_keys(bnd_key, bnd_nbh):
return frozenset(bond_keys(bnd_nbh) - {bnd_key})
bnd_ngb_keys_dct = dict_.transform_items_to_values(bond_neighborhoods(xgr),
_neighbor_keys)
return bnd_ngb_keys_dct
def atom_explicit_hydrogen_keys(xgr):
""" explicit hydrogen valences, by atom
"""
def _explicit_hydrogen_keys(atm_key, atm_nbh):
return frozenset(explicit_hydrogen_keys(atm_nbh) - {atm_key})
atm_exp_hyd_keys_dct = dict_.transform_items_to_values(
atom_neighborhoods(xgr), _explicit_hydrogen_keys)
return atm_exp_hyd_keys_dct
def atom_neighbor_keys(xgr):
""" keys of neighboring atoms, by atom
"""
def _neighbor_keys(atm_key, atm_nbh):
return frozenset(atom_keys(atm_nbh) - {atm_key})
atm_ngb_keys_dct = dict_.transform_items_to_values(atom_neighborhoods(xgr),
_neighbor_keys)
return atm_ngb_keys_dct