def __init__(self):
self.structures = digraph(
) # graph describing the relations between individual structures
self.search_trees = [
] # list of substructure instances that for a tree
self.rings = {}
self.fill_data()
def create_CIP_digraph(self, center):
"""creates a digraph according to rules described in CIP paper."""
assert center in self.vertices
from graph.digraph import digraph
dg = digraph()
dg.add_vertex(center.copy())
return dg
def create_CIP_digraph( self, center): """creates a digraph according to rules described in CIP paper.""" assert center in self.vertices from graph.digraph import digraph dg = digraph() dg.add_vertex( center.copy()) return dg
def __init__( self):
self.structures = digraph() # graph describing the relations between individual structures
self.search_trees = [] # list of substructure instances that for a tree
self.rings = {}
self.fill_data()
