コード例 #1
0
ファイル: subsearch.py プロジェクト: caiyingchun/OASA
 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()
コード例 #2
0
ファイル: molecule.py プロジェクト: caiyingchun/OASA
 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
コード例 #3
0
ファイル: molecule.py プロジェクト: Robot-Will/OASA
 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
コード例 #4
0
ファイル: subsearch.py プロジェクト: Robot-Will/OASA
 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()