Python Graph.resetConnectivityValues方法代碼示例

本文整理匯總了Python中rmgpy.molecule.graph.Graph.resetConnectivityValues方法的典型用法代碼示例。如果您正苦於以下問題：Python Graph.resetConnectivityValues方法的具體用法？Python Graph.resetConnectivityValues怎麽用？Python Graph.resetConnectivityValues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.resetConnectivityValues方法的3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 resetConnectivityValues [as 別名]

#.........這裏部分代碼省略.........
        is being done.
        """

        vertices1 = [Vertex() for i in range(4)]
        edges1 = [Edge(vertices1[0], vertices1[1]), Edge(vertices1[1], vertices1[2]), Edge(vertices1[2], vertices1[3])]

        vertices2 = [Vertex() for i in range(3)]
        edges2 = [Edge(vertices2[0], vertices2[1]), Edge(vertices2[1], vertices2[2])]

        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)

        graph = graph1.merge(graph2)

        self.assertTrue(len(graph1.vertices) + len(graph2.vertices) == len(graph.vertices))
        for vertex1 in vertices1:
            self.assertTrue(vertex1 in graph.vertices)
            for vertex2 in vertex1.edges:
                self.assertTrue(vertex2 in graph.vertices)
        for vertex2 in vertices2:
            self.assertTrue(vertex2 in graph.vertices)
            for vertex1 in vertex2.edges:
                self.assertTrue(vertex1 in vertex2.edges)

    def test_resetConnectivityValues(self):
        """
        Test the Graph.resetConnectivityValues() method.
        """
        self.graph.resetConnectivityValues()
        for vertex in self.graph.vertices:
            self.assertEqual(vertex.connectivity, -1)
            self.assertEqual(vertex.sortingLabel, -1)

    def test_updateConnectivityValues(self):
        """
        Test the Graph.updateConnectivityValues() method.
        """
        self.graph.updateConnectivityValues()
        self.assertEqual(self.graph.vertices[0].connectivity, 10)
        self.assertEqual(self.graph.vertices[0].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[1].connectivity, 19)
        self.assertEqual(self.graph.vertices[1].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[2].connectivity, 23)
        self.assertEqual(self.graph.vertices[2].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[3].connectivity, 23)
        self.assertEqual(self.graph.vertices[3].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[4].connectivity, 19)
        self.assertEqual(self.graph.vertices[4].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[5].connectivity, 10)
        self.assertEqual(self.graph.vertices[5].sortingLabel, -1)

    def test_sortVertices(self):
        """
        Test the Graph.sortVertices() method.
        """
        self.graph.updateConnectivityValues()
        self.graph.sortVertices()

開發者ID:QuinlanofCork，項目名稱:RMG-Py，代碼行數:70，代碼來源:graphTest.py

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 resetConnectivityValues [as 別名]

#.........這裏部分代碼省略.........
        vertices1 = [Vertex() for i in range(4)]
        edges1 = [
            Edge(vertices1[0], vertices1[1]),
            Edge(vertices1[1], vertices1[2]),
            Edge(vertices1[2], vertices1[3]),
        ]

        vertices2 = [Vertex() for i in range(3)]
        edges2 = [
            Edge(vertices2[0], vertices2[1]),
            Edge(vertices2[1], vertices2[2]),
        ]

        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)

        graph = graph1.merge(graph2)

        self.assertTrue(len(graph1.vertices) + len(graph2.vertices) == len(graph.vertices))
        for vertex1 in vertices1:
            self.assertTrue(vertex1 in graph.vertices)
            for vertex2 in vertex1.edges:
                self.assertTrue(vertex2 in graph.vertices)
        for vertex2 in vertices2:
            self.assertTrue(vertex2 in graph.vertices)
            for vertex1 in vertex2.edges:
                self.assertTrue(vertex1 in vertex2.edges)
    
    def test_resetConnectivityValues(self):
        """
        Test the Graph.resetConnectivityValues() method.
        """
        self.graph.resetConnectivityValues()
        for vertex in self.graph.vertices:
            self.assertEqual(vertex.connectivity1, -1)
            self.assertEqual(vertex.connectivity2, -1)
            self.assertEqual(vertex.connectivity3, -1)
            self.assertEqual(vertex.sortingLabel, -1)
    
    def test_updateConnectivityValues(self):
        """
        Test the Graph.updateConnectivityValues() method.
        """
        self.graph.updateConnectivityValues()
        self.assertEqual(self.graph.vertices[0].connectivity1, 1)
        self.assertEqual(self.graph.vertices[0].connectivity2, 2)
        self.assertEqual(self.graph.vertices[0].connectivity3, 3)
        self.assertEqual(self.graph.vertices[0].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[1].connectivity1, 2)
        self.assertEqual(self.graph.vertices[1].connectivity2, 3)
        self.assertEqual(self.graph.vertices[1].connectivity3, 6)
        self.assertEqual(self.graph.vertices[1].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[2].connectivity1, 2)
        self.assertEqual(self.graph.vertices[2].connectivity2, 4)
        self.assertEqual(self.graph.vertices[2].connectivity3, 7)
        self.assertEqual(self.graph.vertices[2].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[3].connectivity1, 2)
        self.assertEqual(self.graph.vertices[3].connectivity2, 4)
        self.assertEqual(self.graph.vertices[3].connectivity3, 7)
        self.assertEqual(self.graph.vertices[3].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[4].connectivity1, 2)

開發者ID:connie，項目名稱:RMG-Py，代碼行數:70，代碼來源:graphTest.py

示例3: TestGraph

# 需要導入模塊: from rmgpy.molecule.graph import Graph [as 別名]
# 或者: from rmgpy.molecule.graph.Graph import resetConnectivityValues [as 別名]

#.........這裏部分代碼省略.........
        vertices1 = [Vertex() for i in range(4)]
        edges1 = [
            Edge(vertices1[0], vertices1[1]),
            Edge(vertices1[1], vertices1[2]),
            Edge(vertices1[2], vertices1[3]),
        ]

        vertices2 = [Vertex() for i in range(3)]
        edges2 = [
            Edge(vertices2[0], vertices2[1]),
            Edge(vertices2[1], vertices2[2]),
        ]

        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)

        graph = graph1.merge(graph2)

        self.assertTrue(len(graph1.vertices) + len(graph2.vertices) == len(graph.vertices))
        for vertex1 in vertices1:
            self.assertTrue(vertex1 in graph.vertices)
            for vertex2 in vertex1.edges:
                self.assertTrue(vertex2 in graph.vertices)
        for vertex2 in vertices2:
            self.assertTrue(vertex2 in graph.vertices)
            for vertex1 in vertex2.edges:
                self.assertTrue(vertex1 in vertex2.edges)
    
    def test_resetConnectivityValues(self):
        """
        Test the Graph.resetConnectivityValues() method.
        """
        self.graph.resetConnectivityValues()
        for vertex in self.graph.vertices:
            self.assertEqual(vertex.connectivity1, -1)
            self.assertEqual(vertex.connectivity2, -1)
            self.assertEqual(vertex.connectivity3, -1)
            self.assertEqual(vertex.sortingLabel, -1)
    
    def test_updateConnectivityValues(self):
        """
        Test the Graph.updateConnectivityValues() method.
        """
        self.graph.updateConnectivityValues()
        self.assertEqual(self.graph.vertices[0].connectivity1, 1)
        self.assertEqual(self.graph.vertices[0].connectivity2, 2)
        self.assertEqual(self.graph.vertices[0].connectivity3, 3)
        self.assertEqual(self.graph.vertices[0].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[1].connectivity1, 2)
        self.assertEqual(self.graph.vertices[1].connectivity2, 3)
        self.assertEqual(self.graph.vertices[1].connectivity3, 6)
        self.assertEqual(self.graph.vertices[1].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[2].connectivity1, 2)
        self.assertEqual(self.graph.vertices[2].connectivity2, 4)
        self.assertEqual(self.graph.vertices[2].connectivity3, 7)
        self.assertEqual(self.graph.vertices[2].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[3].connectivity1, 2)
        self.assertEqual(self.graph.vertices[3].connectivity2, 4)
        self.assertEqual(self.graph.vertices[3].connectivity3, 7)
        self.assertEqual(self.graph.vertices[3].sortingLabel, -1)
        self.assertEqual(self.graph.vertices[4].connectivity1, 2)

開發者ID:ReactionMechanismGenerator，項目名稱:RMG-Py，代碼行數:70，代碼來源:graphTest.py

注：本文中的rmgpy.molecule.graph.Graph.resetConnectivityValues方法示例由純淨天空整理自Github/MSDocs等開源代碼及文檔管理平台，相關代碼片段篩選自各路編程大神貢獻的開源項目，源碼版權歸原作者所有，傳播和使用請參考對應項目的License；未經允許，請勿轉載。