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mod/hydroxylation.py

@@ -211,6 +211,30 @@ rule [
 """
 )
 
+#hydroxylation = Rule.fromGMLString(
+"""
+rule [
+   left [
+    node [ id 1 label "H" ]
+    edge [ source 1 target 2 label "-" ]
+   ]
+   context [
+    node [ id 2 label "C" ]
+	node [ id 3 label "C" ]
+	node [ id 4 label "C" ]
+	edge [ source 2 target 3 label ":" ]
+	edge [ source 2 target 4 label ":" ]
+   ]
+   right [
+    node [ id 5 label "O" ]
+    node [ id 6 label "H" ]
+    edge [ source 2 target 5 label "-" ]                                                                                                  
+    edge [ source 5 target 6 label "-" ]                   
+   ]
+]
+"""
+#)
+
 #decarboxylation = Rule.fromGMLString(
 """
 rule [
@@ -277,21 +301,19 @@ for a in inputRules:
 dg = DG(graphDatabase=inputGraphs)
 dg.build().execute(
 	addSubset(inputGraphs)
-	>> rightPredicate[
-		lambda d: all(g.vLabelCount("C") <= 30 for g in d.right)
-	](
-		repeat(inputRules)
-	)
+	>>repeat(inputRules)
 )
+
+#rightPredicate[
+#		lambda d: all(g.vLabelCount("C") <= 30 for g in d.right)
+#	](
 dg.print()
 postSection("Product Graphs")
 for a in dg.vertices:
 	a.graph.print()
 
 flowAutocata = Flow(dg)
-flowAutocata.overallAutocatalysis.enable()
-for a in {cinnamon}:
-	flowAutocata.addSource(a)
+flowAutocata.addSource(cinnamon)
 flowAutocata.addSink(vanilline)
 flowAutocata.findSolutions()
 flowAutocata.solutions.list()