def get_permutation_reaction(self, G1, G2):
(h1, P1) = G1.hash_with_perm()
(h2, P2) = G2.hash_with_perm()
if (compare_hashes(h1, h2, self.ignore_chirality) != 0):
raise ReactionException("Hashes do not match !!!")
P = [0] * G1.get_num_nodes() # a permutation mapping the nodes in G1 to nodes in G2
for n in range(G1.get_num_nodes()):
P[P2[n]] = P1[n]
return ["hidden", None, [Reaction("permutation", P, None, None)]]
def get_permutation_reaction(self, G1, G2):
(h1, P1) = G1.hash_with_perm()
(h2, P2) = G2.hash_with_perm()
if compare_hashes(h1, h2, self.ignore_chirality) != 0:
raise ReactionException("Hashes do not match !!!")
P = [0] * G1.get_num_nodes() # a permutation mapping the nodes in G1 to nodes in G2
for n in range(G1.get_num_nodes()):
P[P2[n]] = P1[n]
return ["hidden", None, [Reaction("permutation", P, None, None)]]
def compare_graph_to_hash(G1, h2):
h1 = G1.hash(ignore_chirality=self.ignore_chirality)
return compare_hashes(h1, h2, self.ignore_chirality)
def compare_graph_to_hash(G1, h2):
h1 = G1.hash(ignore_chirality=self.ignore_chirality)
return compare_hashes(h1, h2, self.ignore_chirality)
