Dateien nach "mod/butadien" hochladen

mod/butadien/butadien.py

@@ -0,0 +1,120 @@
+config.ilp.solver="CPLEX"
+
+butadien = Graph.fromGMLString("""graph [
+     node [ id 0 label "C" ]
+     node [ id 1 label "C" ]
+     node [ id 2 label "C" ]
+     node [ id 3 label "C" ]
+     node [ id 4 label "H" ]
+     node [ id 5 label "H" ]
+     node [ id 6 label "H" ]
+     node [ id 7 label "H" ]
+     node [ id 8 label "H" ]
+     node [ id 9 label "H" ]                                                                
+     edge [ source 0 target 1 label "=" ]
+     edge [ source 1 target 2 label "-" ]
+     edge [ source 2 target 3 label "=" ]
+     edge [ source 0 target 4 label "-" ]
+     edge [ source 0 target 5 label "-" ]
+     edge [ source 1 target 6 label "-" ]
+     edge [ source 2 target 7 label "-" ]
+     edge [ source 3 target 8 label "-" ]
+     edge [ source 3 target 9 label "-" ]                                                        
+]""", name="Butadien")
+
+restswap = Rule.fromGMLString(
+"""rule [
+   left [
+     edge [ source 1 target 2 label "=" ]
+     edge [ source 3 target 4 label "=" ]
+   ]
+   context [
+     node [ id 1 label "C" ]
+     node [ id 2 label "C"]
+     node [ id 3 label "C"]
+     node [ id 4 label "C"]
+   ]
+   right [
+     edge [ source 1 target 3 label "=" ]                                                                                                  
+     edge [ source 2 target 4 label "=" ]                        
+   ]
+]"""
+)
+
+dielsalder = Rule.fromGMLString(
+"""rule [
+   left [
+     edge [ source 1 target 2 label "=" ]
+	 edge [ source 2 target 3 label "-" ]
+     edge [ source 3 target 4 label "=" ]
+	 edge [ source 5 target 6 label "=" ]
+	 
+   ]
+   context [
+     node [ id 1 label "C" ]
+     node [ id 2 label "C"]
+     node [ id 3 label "C"]
+     node [ id 4 label "C"]
+	 node [ id 5 label "C"]
+	 node [ id 6 label "C"]
+   ]
+   right [
+     edge [ source 1 target 2 label "-" ]
+	 edge [ source 2 target 3 label "=" ]
+     edge [ source 3 target 4 label "-" ]
+	 edge [ source 4 target 5 label "-" ]
+	 edge [ source 5 target 6 label "-" ] 
+	 edge [ source 6 target 1 label "-" ]                      
+   ]
+]"""
+)
+
+flowPrinter = FlowPrinter()
+flowPrinter.printUnfiltered = False
+
+postSection("Loaded Graphs")
+for a in inputGraphs:
+	a.print()
+postSection("Loaded Rules")
+for a in inputRules:
+	a.print()
+
+dg = DG(graphDatabase=inputGraphs)
+dg.build().execute(
+	addSubset(inputGraphs)
+	>> rightPredicate[
+		lambda d: all(g.vLabelCount("C") <= 8 for g in d.right)
+	](
+		repeat(inputRules)
+	)
+
+)
+dg.print()
+postSection("Product Graphs")
+for a in dg.vertices:
+	a.graph.print()
+
+flowAutocata = Flow(dg)
+flowAutocata.addSource(butadien)
+flowAutocata.findSolutions()
+flowAutocata.solutions.list()
+flowAutocata.solutions.print(flowPrinter)
+
+
+sys.exit(0)
+
+rc = rcEvaluator(inputRules)
+for dRef in dg.derivations:
+	der = dRef.derivation
+	educt = rcId(der.left[0])
+	for i in range(1, len(der.left)):
+		educt = educt *rcParallel* rcId(der.left[i])
+	product = rcId(der.right[0])
+	for i in range(1, len(der.right)):
+		product = product *rcParallel* rcId(der.right[i])
+	rcExp = educt *rcSuper(allowPartial=False)* der.rule *rcSuper(allowPartial=False)* product
+	res = rc.eval(rcExp)
+	dRef.print()
+	for a in res:
+		a.print()
+		a.printGML()