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()