本文整理匯總了Python中rmgpy.molecule.graph.Graph.getAllCyclesOfSize方法的典型用法代碼示例。如果您正苦於以下問題：Python Graph.getAllCyclesOfSize方法的具體用法？Python Graph.getAllCyclesOfSize怎麽用？Python Graph.getAllCyclesOfSize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.getAllCyclesOfSize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: TestGraph
# 需要導入模塊: from rmgpy.molecule.graph import Graph [as 別名]
# 或者: from rmgpy.molecule.graph.Graph import getAllCyclesOfSize [as 別名]
#.........這裏部分代碼省略.........
self.assertEqual(len(self.graph.getAllCyclicVertices()), 4)
def test_getAllPolycylicVertices(self):
edge = Edge(self.graph.vertices[0], self.graph.vertices[3])
self.graph.addEdge(edge) # To create a cycle
self.assertListEqual(self.graph.getAllPolycyclicVertices(), [])
edge2 = Edge(self.graph.vertices[0], self.graph.vertices[5])
self.graph.addEdge(edge2) # Create another cycle to generate two fused cycles
self.assertEqual(len(self.graph.getAllPolycyclicVertices()), 2)
# Add new vertices and edges to generate a spirocyclic cycle
vertices = [Vertex() for i in range(2)]
for vertex in vertices: self.graph.addVertex(vertex)
edges = [
Edge(self.graph.vertices[5], self.graph.vertices[6]),
Edge(self.graph.vertices[6], self.graph.vertices[7]),
Edge(self.graph.vertices[5], self.graph.vertices[7]),
]
for edge in edges: self.graph.addEdge(edge)
self.assertEqual(len(self.graph.getAllPolycyclicVertices()), 3)
def test_getAllCycles(self):
"""
Test the Graph.getAllCycles() method.
"""
cycleList = self.graph.getAllCycles(self.graph.vertices[0])
self.assertEqual(len(cycleList), 0)
edge = Edge(self.graph.vertices[0], self.graph.vertices[3])
self.graph.addEdge(edge) # To create a cycle
cycleList = self.graph.getAllCycles(self.graph.vertices[0])
self.assertEqual(len(cycleList), 2)
self.assertEqual(len(cycleList[0]), 4)
self.assertEqual(len(cycleList[1]), 4)
def test_getAllCyclesOfSize(self):
"""
Test the Graph.getRingsOfSize() method
"""
cycleList = self.graph.getAllCyclesOfSize(6)
self.assertEqual(len(cycleList), 0)
edge = Edge(self.graph.vertices[0], self.graph.vertices[3])
self.graph.addEdge(edge) # To create a cycle of length 4
edge = Edge(self.graph.vertices[0], self.graph.vertices[5])
self.graph.addEdge(edge) # To create a cycle of length 6 and another cycle of length 4
cycleList = self.graph.getAllCyclesOfSize(4)
self.assertEqual(len(cycleList), 2)
self.assertEqual(len(cycleList[0]), 4)
self.assertEqual(len(cycleList[1]), 4)
def test_getSmallestSetOfSmallestRings(self):
"""
Test the Graph.getSmallestSetOfSmallestRings() method.
"""
cycleList = self.graph.getSmallestSetOfSmallestRings()
self.assertEqual(len(cycleList), 0)
edge = Edge(self.graph.vertices[0], self.graph.vertices[3])
self.graph.addEdge(edge) # To create a cycle
cycleList = self.graph.getSmallestSetOfSmallestRings()
self.assertEqual(len(cycleList), 1)
self.assertEqual(len(cycleList[0]), 4)
def test_getPolycyclicRings(self):
"""
Test that the Graph.getPolycyclicRings() method returns only polycyclic rings.
"""
vertices = [Vertex() for i in range(27)]
bonds = [示例2: TestGraph
# 需要導入模塊: from rmgpy.molecule.graph import Graph [as 別名]
# 或者: from rmgpy.molecule.graph.Graph import getAllCyclesOfSize [as 別名]
#.........這裏部分代碼省略.........
self.assertEqual(len(self.graph.getAllCyclicVertices()), 4)
def test_getAllPolycylicVertices(self):
edge = Edge(self.graph.vertices[0], self.graph.vertices[3])
self.graph.addEdge(edge) # To create a cycle
self.assertListEqual(self.graph.getAllPolycyclicVertices(), [])
edge2 = Edge(self.graph.vertices[0], self.graph.vertices[5])
self.graph.addEdge(edge2) # Create another cycle to generate two fused cycles
self.assertEqual(len(self.graph.getAllPolycyclicVertices()), 2)
# Add new vertices and edges to generate a spirocyclic cycle
vertices = [Vertex() for i in range(2)]
for vertex in vertices: self.graph.addVertex(vertex)
edges = [
Edge(self.graph.vertices[5], self.graph.vertices[6]),
Edge(self.graph.vertices[6], self.graph.vertices[7]),
Edge(self.graph.vertices[5], self.graph.vertices[7]),
]
for edge in edges: self.graph.addEdge(edge)
self.assertEqual(len(self.graph.getAllPolycyclicVertices()), 3)
def test_getAllCycles(self):
"""
Test the Graph.getAllCycles() method.
"""
cycleList = self.graph.getAllCycles(self.graph.vertices[0])
self.assertEqual(len(cycleList), 0)
edge = Edge(self.graph.vertices[0], self.graph.vertices[3])
self.graph.addEdge(edge) # To create a cycle
cycleList = self.graph.getAllCycles(self.graph.vertices[0])
self.assertEqual(len(cycleList), 2)
self.assertEqual(len(cycleList[0]), 4)
self.assertEqual(len(cycleList[1]), 4)
def test_getAllCyclesOfSize(self):
"""
Test the Graph.getRingsOfSize() method
"""
cycleList = self.graph.getAllCyclesOfSize(6)
self.assertEqual(len(cycleList), 0)
edge = Edge(self.graph.vertices[0], self.graph.vertices[3])
self.graph.addEdge(edge) # To create a cycle of length 4
edge = Edge(self.graph.vertices[0], self.graph.vertices[5])
self.graph.addEdge(edge) # To create a cycle of length 6 and another cycle of length 4
cycleList = self.graph.getAllCyclesOfSize(4)
self.assertEqual(len(cycleList), 2)
self.assertEqual(len(cycleList[0]), 4)
self.assertEqual(len(cycleList[1]), 4)
def test_getAllSimpleCyclesOfSize(self):
"""
Test the Graph.getAllSimpleCyclesOfSize() method.
"""
cycleList = self.graph.getAllCyclesOfSize(6)
self.assertEqual(len(cycleList), 0)
edge = Edge(self.graph.vertices[0], self.graph.vertices[3])
self.graph.addEdge(edge) # To create a cycle of length 4
edge = Edge(self.graph.vertices[0], self.graph.vertices[5])
self.graph.addEdge(edge) # To create a cycle of length 6 and another cycle of length 4
cycleList = self.graph.getAllSimpleCyclesOfSize(4)
self.assertEqual(len(cycleList), 2)
self.assertEqual(len(cycleList[0]), 4)
self.assertEqual(len(cycleList[1]), 4)
cycleList = self.graph.getAllSimpleCyclesOfSize(6)
self.assertEqual(len(cycleList), 0)
def test_getSmallestSetOfSmallestRings(self):