def full_isomorphism(xgr1, xgr2):
""" full graph isomorphism
"""
assert xgr1 == explicit(xgr1) and xgr2 == explicit(xgr2)
nxg1 = _networkx.from_graph(xgr1)
nxg2 = _networkx.from_graph(xgr2)
iso_dct = _networkx.isomorphism(nxg1, nxg2)
return iso_dct
def full_isomorphism(gra1, gra2):
""" full graph isomorphism
"""
assert gra1 == explicit(gra1) and gra2 == explicit(gra2)
nxg1 = _networkx.from_graph(gra1)
nxg2 = _networkx.from_graph(gra2)
iso_dct = _networkx.isomorphism(nxg1, nxg2)
return iso_dct
def backbone_isomorphism(xgr1, xgr2):
""" graph backbone isomorphism
for implicit graphs, this is the relabeling of `xgr1` to produce `xgr2`
for other graphs, it gives the correspondences between backbone atoms
"""
xgr1 = implicit(xgr1)
xgr2 = implicit(xgr2)
nxg1 = _networkx.from_graph(xgr1)
nxg2 = _networkx.from_graph(xgr2)
iso_dct = _networkx.isomorphism(nxg1, nxg2)
return iso_dct
def _isomorphism(gra1, gra2, igraph=False):
"""
"""
if igraph:
igr1 = _igraph.from_graph(gra1)
igr2 = _igraph.from_graph(gra2)
iso_dcts = _igraph.isomorphisms(igr1, igr2)
iso_dct = iso_dcts[0] if iso_dcts else None
else:
nxg1 = _networkx.from_graph(gra1)
nxg2 = _networkx.from_graph(gra2)
iso_dct = _networkx.isomorphism(nxg1, nxg2)
return iso_dct
def full_isomorphism(gra1, gra2, igraph=False):
""" full graph isomorphism
"""
assert gra1 == explicit(gra1) and gra2 == explicit(gra2)
if igraph:
igr1 = _igraph.from_graph(gra1)
igr2 = _igraph.from_graph(gra2)
iso_dcts = _igraph.isomorphisms(igr1, igr2)
iso_dct = iso_dcts[0] if iso_dcts else None
else:
nxg1 = _networkx.from_graph(gra1)
nxg2 = _networkx.from_graph(gra2)
iso_dct = _networkx.isomorphism(nxg1, nxg2)
return iso_dct
def backbone_isomorphism(gra1, gra2, igraph=False):
""" graph backbone isomorphism
for implicit graphs, this is the relabeling of `gra1` to produce `gra2`
for other graphs, it gives the correspondences between backbone atoms
"""
gra1 = implicit(gra1)
gra2 = implicit(gra2)
if igraph:
igr1 = _igraph.from_graph(gra1)
igr2 = _igraph.from_graph(gra2)
iso_dcts = _igraph.isomorphisms(igr1, igr2)
iso_dct = iso_dcts[0] if iso_dcts else None
else:
nxg1 = _networkx.from_graph(gra1)
nxg2 = _networkx.from_graph(gra2)
iso_dct = _networkx.isomorphism(nxg1, nxg2)
return iso_dct
