Python Graph.maxClars方法代码示例

本文整理汇总了Python中Graph.maxClars方法的典型用法代码示例。如果您正苦于以下问题：Python Graph.maxClars方法的具体用法？Python Graph.maxClars怎么用？Python Graph.maxClars使用的例子？那么恭喜您, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类Graph的用法示例。

在下文中一共展示了Graph.maxClars方法的3个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的Python代码示例。

示例1: combineGraphs

# 需要导入模块: import Graph [as 别名]
# 或者: from Graph import maxClars [as 别名]
def combineGraphs(path = "CombinedTemps",extension = ".txt"):

	folderName = "CombinedTemps"
	if os.path.exists(folderName):

		num_files = len([f for f in os.listdir(path)
                	if os.path.isfile(os.path.join(path, f))])
		num_files -= 1
	else:
		num_files = 0

	graphNumber = 0
	superGraphNumber = num_files
	deletedCount = 0

	storedGraphs = {}

	interval = float(raw_input("How many hours would you like to run the program? "))

	timeLimit = 3600 * interval
	print "limit:", timeLimit

	t1 = time.time()
	t2 = time.time()

	while t2 - t1 < timeLimit:
		print "graph " + str(graphNumber)

		flag = False

#new stuff
		randomFaces = createRandomGraph()
		vertexGraph = []

		#Finds connected graph
		while len(vertexGraph) % 2 != 0 or len(vertexGraph) == 0 or countPeaksAndValleys(randomFaces) == False or isConnected(faceGraphToInts(randomFaces)) == False: 
			randomFaces = createRandomGraph()
			vertexGraph = makeVertexGraph(randomFaces)	

		randomGraph = Graph(randomFaces, vertexGraph)

		perfectMatchingThm = isKekulean(randomGraph)

		if perfectMatchingThm == True:
			structures = assignMatching(randomGraph)			
#end new stuff

		Graph.comparison = 'clars'
		structures.sort()
		randomGraph.maxClars = structures[-1].getClarsNumber()

		#For testing
		#fgraph = getInput("graph.txt");
		#vgraph = makeVertexGraph(fgraph)
		#graph = Graph(fgraph, vgraph)

		req_edges = getRequiredSet(structures)
		externalEdges = getExternalEdges(req_edges)

		#print len(externalEdges)
		#for edge in externalEdges:
		#	face = (edge[0].getFaces() & edge[1].getFaces()).pop()
		#	print face, "\t", face.getVertices().index(edge[0]), "\t", face.getVertices().index(edge[1])

		if len(externalEdges) > 0:
			#add graph and edges to list
			storedGraphs[randomGraph] = externalEdges

			for g, edges in storedGraphs.items():
				complements = getComplements(externalEdges, edges)

				#print "len", len(complements)
				for edge, compEdge in complements:
					faceA = (edge[0].getFaces() & edge[1].getFaces()).pop()
					#print compEdge
					faceB = (compEdge[0].getFaces() & compEdge[1].getFaces()).pop()
					
					x = faceA.getX() - faceB.getX()
					y = faceA.getY() - faceB.getY()
					#print "A:   x:", faceA.x, "y:", faceA.y
					#print "B:   x:", faceB.x, "y:", faceB.y
					#print "xdiff:", x, "ydiff:", y
					if edge[2] == "TOP_RIGHT" and compEdge[2] == "BOTTOM_LEFT":
						newGraph = offsetFaces(g, x, y + 1);
					elif edge[2] == "RIGHT" and compEdge[2] == "LEFT":
						newGraph = offsetFaces(g, x + 1, y);
					elif edge[2] == "TOP_LEFT" and compEdge[2] == "BOTTOM_RIGHT":
						newGraph = offsetFaces(g, x + 1, y + 1);

					elif edge[2] == "BOTTOM_LEFT" and compEdge[2] == "TOP_RIGHT":
						newGraph = offsetFaces(g, x, y - 1);
					elif edge[2] == "LEFT" and compEdge[2] == "RIGHT":
						newGraph = offsetFaces(g, x - 1, y);
					elif edge[2] == "BOTTOM_RIGHT" and compEdge[2] == "TOP_LEFT":
						newGraph = offsetFaces(g, x - 1, y - 1);

					overlap = checkFaceOverlap(randomGraph, newGraph)
					#print overlap
					if overlap is False:
						faceGraph = combineFaces(randomGraph, newGraph)
#.........这里部分代码省略.........

开发者ID:Jc11235，项目名称:Kekulean_Program，代码行数:103，代码来源:DriverMethods.py

示例2: combineGraphs

# 需要导入模块: import Graph [as 别名]
# 或者: from Graph import maxClars [as 别名]
def combineGraphs(root,interval):
	global Break
	Break = False

	quit = Button(root, text ="Quit", command = BreakModule)
	quit.pack(side = LEFT)

	graphNumber = 0
	superGraphNumber = 0
	deletedCount = 0

	scrollbar = Scrollbar(root)
	scrollbar.pack(side = RIGHT,fill = Y)	

	text = Text(root,yscrollcommand = scrollbar.set)
	text.pack()	

	scrollbar.config(command=text.yview)

	storedGraphs = {}

	timeLimit = 3600 * interval

	t1 = time.time()
	t2 = time.time()	

	while t2 - t1 < timeLimit:

		text.insert(CURRENT,"graph: " + str(graphNumber) + "\n")

		if Break == True:
			Break = False
			quit.destroy()
			break
		
		flag = False

#new stuff
		randomFaces = createRandomGraph()
		vertexGraph = []

		#Finds connected graph
		while len(vertexGraph) % 2 != 0 or len(vertexGraph) == 0 or countPeaksAndValleys(randomFaces) == False or isConnected(faceGraphToInts(randomFaces)) == False: 
			randomFaces = createRandomGraph()
			vertexGraph = makeVertexGraph(randomFaces)	

		randomGraph = Graph(randomFaces, vertexGraph)

		perfectMatchingThm = isKekulean(randomGraph)

		if perfectMatchingThm == True:
			structures = assignMatching(randomGraph)			
#end new stuff

		Graph.comparison = 'clars'
		structures.sort()
		randomGraph.maxClars = structures[-1].getClarsNumber()

		req_edges = getRequiredSet(structures)
		externalEdges = getExternalEdges(req_edges)

		if len(externalEdges) > 0:
			#add graph and edges to list
			storedGraphs[randomGraph] = externalEdges

			for g, edges in storedGraphs.items():
				complements = getComplements(externalEdges, edges)

				for edge, compEdge in complements:
					faceA = (edge[0].getFaces() & edge[1].getFaces()).pop()
					faceB = (compEdge[0].getFaces() & compEdge[1].getFaces()).pop()
					
					x = faceA.getX() - faceB.getX()
					y = faceA.getY() - faceB.getY()

					if edge[2] == "TOP_RIGHT" and compEdge[2] == "BOTTOM_LEFT":
						newGraph = offsetFaces(g, x, y + 1);
					elif edge[2] == "RIGHT" and compEdge[2] == "LEFT":
						newGraph = offsetFaces(g, x + 1, y);
					elif edge[2] == "TOP_LEFT" and compEdge[2] == "BOTTOM_RIGHT":
						newGraph = offsetFaces(g, x + 1, y + 1);

					elif edge[2] == "BOTTOM_LEFT" and compEdge[2] == "TOP_RIGHT":
						newGraph = offsetFaces(g, x, y - 1);
					elif edge[2] == "LEFT" and compEdge[2] == "RIGHT":
						newGraph = offsetFaces(g, x - 1, y);
					elif edge[2] == "BOTTOM_RIGHT" and compEdge[2] == "TOP_LEFT":
						newGraph = offsetFaces(g, x - 1, y - 1);

					overlap = checkFaceOverlap(randomGraph, newGraph)
					#print overlap
					if overlap is False:
						faceGraph = combineFaces(randomGraph, newGraph)
						faceGraph = adjustForNegatives(faceGraph)

						vertexGraph = makeVertexGraph(faceGraph)

						superGraph = Graph(faceGraph, vertexGraph)

						structures = assignMatching(superGraph)
#.........这里部分代码省略.........

开发者ID:Jc11235，项目名称:Kekulean_Program，代码行数:103，代码来源:DriverMethods.py

示例3: combineGraphs

# 需要导入模块: import Graph [as 别名]
# 或者: from Graph import maxClars [as 别名]
def combineGraphs():
	graphNumber = 0
	superGraphNumber = 0
	storedGraphs = {}

	interval = float(raw_input("How many hours would you like to run the program? "))

	timeLimit = 3600 * interval
	print "limit:", timeLimit

	t1 = time.time()
	t2 = time.time()

	while t2 - t1 < timeLimit:
		print "graph", graphNumber

		flag = False

		graph = _createRandomKekulean()
		matchings = assignMatching(graph)
		while len(matchings) == 0:
			graph = _createRandomKekulean()
			matchings = assignMatching(graph)
		graph.numStructures = len(matchings)

		Graph.comparison = 'clars'
		matchings.sort()
		graph.maxClars = matchings[-1].getClarsNumber()

		#For testing
		#fgraph = getInput("graph.txt");
		#vgraph = makeVertexGraph(fgraph)
		#graph = Graph(fgraph, vgraph)

		req_edges = getRequiredSet(matchings)
		externalEdges = getExternalEdges(req_edges)

		#print len(externalEdges)
		#for edge in externalEdges:
		#	face = (edge[0].getFaces() & edge[1].getFaces()).pop()
		#	print face, "\t", face.getVertices().index(edge[0]), "\t", face.getVertices().index(edge[1])

		if len(externalEdges) > 0:
			#add graph and edges to list
			storedGraphs[graph] = externalEdges

			for g, edges in storedGraphs.items():
				complements = getComplements(externalEdges, edges)

				#print "len", len(complements)
				for edge, compEdge in complements:
					faceA = (edge[0].getFaces() & edge[1].getFaces()).pop()
					#print compEdge
					faceB = (compEdge[0].getFaces() & compEdge[1].getFaces()).pop()
					
					x = faceA.getX() - faceB.getX()
					y = faceA.getY() - faceB.getY()
					#print "A:   x:", faceA.x, "y:", faceA.y
					#print "B:   x:", faceB.x, "y:", faceB.y
					#print "xdiff:", x, "ydiff:", y
					if edge[2] == "TOP_RIGHT" and compEdge[2] == "BOTTOM_LEFT":
						newGraph = offsetFaces(g, x, y + 1);
					elif edge[2] == "RIGHT" and compEdge[2] == "LEFT":
						newGraph = offsetFaces(g, x + 1, y);
					elif edge[2] == "TOP_LEFT" and compEdge[2] == "BOTTOM_RIGHT":
						newGraph = offsetFaces(g, x + 1, y + 1);

					elif edge[2] == "BOTTOM_LEFT" and compEdge[2] == "TOP_RIGHT":
						newGraph = offsetFaces(g, x, y - 1);
					elif edge[2] == "LEFT" and compEdge[2] == "RIGHT":
						newGraph = offsetFaces(g, x - 1, y);
					elif edge[2] == "BOTTOM_RIGHT" and compEdge[2] == "TOP_LEFT":
						newGraph = offsetFaces(g, x - 1, y - 1);

					overlap = checkFaceOverlap(graph, newGraph)
					#print overlap
					if overlap is False:
						faceGraph = combineFaces(graph, newGraph)
						faceGraph = adjustForNegatives(faceGraph)
								
						vertexGraph = makeVertexGraph(faceGraph)
						superGraph = Graph(faceGraph, vertexGraph)

						matchings = assignMatching(superGraph)

						if len(matchings) > 0:
							if not os.path.exists("CombinedGraphs"):
								os.mkdir("CombinedGraphs")

							folderName = "CombinedGraphs/superGraph" + str(graphNumber)
							#setup folder
							if not os.path.exists(folderName):
								os.mkdir(folderName)

							superGraph.numStructures = len(matchings)
							Graph.comparison = 'clars'
							matchings.sort()
							print "super len:", len(matchings)
							superGraph.maxClars = matchings[-1].getClarsNumber()

#.........这里部分代码省略.........

开发者ID:MCLA-Cheminformatics，项目名称:Kekulean，代码行数:103，代码来源:DriverMethods.py

注：本文中的Graph.maxClars方法示例由纯净天空整理自Github/MSDocs等开源代码及文档管理平台，相关代码片段筛选自各路编程大神贡献的开源项目，源码版权归原作者所有，传播和使用请参考对应项目的License；未经允许，请勿转载。