本文整理匯總了Python中rmgpy.molecule.graph.Graph.findSubgraphIsomorphisms方法的典型用法代碼示例。如果您正苦於以下問題：Python Graph.findSubgraphIsomorphisms方法的具體用法？Python Graph.findSubgraphIsomorphisms怎麽用？Python Graph.findSubgraphIsomorphisms使用的例子？那麽, 這裏精選的方法代碼示例或許可以為您提供幫助。您也可以進一步了解該方法所在類rmgpy.molecule.graph.Graph的用法示例。
在下文中一共展示了Graph.findSubgraphIsomorphisms方法的2個代碼示例，這些例子默認根據受歡迎程度排序。您可以為喜歡或者感覺有用的代碼點讚，您的評價將有助於係統推薦出更棒的Python代碼示例。
示例1: test_isomorphism_disconnected
# 需要導入模塊: from rmgpy.molecule.graph import Graph [as 別名]
# 或者: from rmgpy.molecule.graph.Graph import findSubgraphIsomorphisms [as 別名]
def test_isomorphism_disconnected(self):
"""
Check the graph isomorphism for broken graphs.
This tries to match graphs with a missing bond,
eg. [ 0-1-2-3-4 5 ] should match [ 0-1-2-3-4 5 ]
"""
vertices1 = [Vertex() for i in range(6)]
edges1 = [
Edge(vertices1[0], vertices1[1]),
Edge(vertices1[1], vertices1[2]),
Edge(vertices1[2], vertices1[3]),
Edge(vertices1[3], vertices1[4]),
#Edge(vertices1[4], vertices1[5]),
]
vertices2 = [Vertex() for i in range(6)]
edges2 = [
Edge(vertices2[0], vertices2[1]),
Edge(vertices2[1], vertices2[2]),
Edge(vertices2[2], vertices2[3]),
Edge(vertices2[3], vertices2[4]),
#Edge(vertices2[4], vertices2[5]),
]
graph1 = Graph()
for vertex in vertices1: graph1.addVertex(vertex)
for edge in edges1: graph1.addEdge(edge)
graph2 = Graph()
for vertex in vertices2: graph2.addVertex(vertex)
for edge in edges2: graph2.addEdge(edge)
self.assertTrue(graph1.isIsomorphic(graph2))
self.assertTrue(graph1.isSubgraphIsomorphic(graph2))
self.assertTrue(graph2.isIsomorphic(graph1))
self.assertTrue(graph2.isSubgraphIsomorphic(graph1))
self.assertTrue(len(graph1.findSubgraphIsomorphisms(graph2)) > 0)示例2: test_subgraphIsomorphism
# 需要導入模塊: from rmgpy.molecule.graph import Graph [as 別名]
# 或者: from rmgpy.molecule.graph.Graph import findSubgraphIsomorphisms [as 別名]
def test_subgraphIsomorphism(self):
"""
Check the subgraph isomorphism functions.
"""
vertices1 = [Vertex() for i in range(6)]
edges1 = [
Edge(vertices1[0], vertices1[1]),
Edge(vertices1[1], vertices1[2]),
Edge(vertices1[2], vertices1[3]),
Edge(vertices1[3], vertices1[4]),
Edge(vertices1[4], vertices1[5]),
]
vertices2 = [Vertex() for i in range(2)]
edges2 = [Edge(vertices2[0], vertices2[1])]
graph1 = Graph()
for vertex in vertices1:
graph1.addVertex(vertex)
for edge in edges1:
graph1.addEdge(edge)
graph2 = Graph()
for vertex in vertices2:
graph2.addVertex(vertex)
for edge in edges2:
graph2.addEdge(edge)
self.assertFalse(graph1.isIsomorphic(graph2))
self.assertFalse(graph2.isIsomorphic(graph1))
self.assertTrue(graph1.isSubgraphIsomorphic(graph2))
mapList = graph1.findSubgraphIsomorphisms(graph2)
self.assertTrue(len(mapList) == 10)
for mapping in mapList:
self.assertTrue(graph1.isMappingValid(graph2, mapping))
self.assertTrue(graph1.isMappingValid(graph2, mapping))