Dateien nach "mod" hochladen

mod/n-methylation.py

@@ -114,6 +114,27 @@ nmethylation = Rule.fromGMLString(
 ]"""
 )
 
+#doublebondflip = Rule.fromGMLString(
+"""rule [
+   left [
+     edge [ source 1 target 2 label "-" ]
+	edge [ source 2 target 3 label "-" ]
+	edge [ source 3 target 4 label "=" ]
+   ]
+   context [
+     node [ id 1 label "H" ]
+     node [ id 2 label "N" ]
+     node [ id 3 label "C"]
+     node [ id 4 label "N"]
+   ]
+   right [
+     edge [ source 1 target 4 label "-" ]
+	edge [ source 4 target 3 label "-" ]
+	edge [ source 3 target 2 label "=" ]                       
+   ]
+]"""
+#)
+
 flowPrinter = FlowPrinter()
 flowPrinter.printUnfiltered = False
 
@@ -127,11 +148,7 @@ for a in inputRules:
 dg = DG(graphDatabase=inputGraphs)
 dg.build().execute(
 	addSubset(inputGraphs)
-	>> rightPredicate[
-		lambda d: all(g.vLabelCount("C") <= 20 for g in d.right)
-	](
-		repeat(inputRules)
-	)
+	>>repeat(inputRules)
 )
 dg.print()
 postSection("Product Graphs")
@@ -139,9 +156,7 @@ for a in dg.vertices:
 	a.graph.print()
 
 flowAutocata = Flow(dg)
-flowAutocata.overallAutocatalysis.enable()
-for a in {xanthine}:
-	flowAutocata.addSource(a)
+flowAutocata.addSource(xanthine)
 flowAutocata.addSink(caffeine)
 flowAutocata.findSolutions()
 flowAutocata.solutions.list()