Dateien nach "mod/cyanide" hochladen

mod/cyanide/cyanide.py

@@ -0,0 +1,166 @@
+config.ilp.solver="CPLEX"
+
+cyanide = Graph.fromGMLString("""graph [
+     node [ id 0 label "H" ]
+     node [ id 1 label "C" ]
+     node [ id 2 label "N" ]                                                              
+     edge [ source 0 target 1 label "-" ]
+     edge [ source 1 target 2 label "#" ]                                                       
+]""", name="Cyanide")
+
+#adenine = Graph.fromGMLString(
+"""graph [
+    node [ id 1 label "C" ]
+    node [ id 2 label "C" ]
+    node [ id 3 label "N" ]
+    node [ id 4 label "C" ]
+    node [ id 5 label "N" ]
+    node [ id 6 label "N" ]
+    node [ id 7 label "C" ]
+    node [ id 8 label "N" ]
+    node [ id 9 label "C" ]
+    node [ id 10 label "N" ]
+    node [ id 11 label "H" ]
+    node [ id 12 label "H" ]
+    node [ id 13 label "H" ]
+    node [ id 14 label "H" ]
+    node [ id 15 label "H" ]
+    edge [ source 6 target 2 label "-" ]
+    edge [ source 2 target 1 label "=" ]
+    edge [ source 1 target 9 label "-" ]
+    edge [ source 9 target 10 label "-" ]
+    edge [ source 10 target 12 label "-" ]
+    edge [ source 10 target 11 label "-" ]
+    edge [ source 9 target 8 label "=" ]
+    edge [ source 8 target 7 label "-" ]
+    edge [ source 7 target 6 label "=" ]
+    edge [ source 2 target 3 label "-" ]
+    edge [ source 4 target 3 label "-" ]
+    edge [ source 5 target 4 label "=" ]
+    edge [ source 1 target 5 label "-" ]
+    edge [ source 4 target 13 label "-" ]
+    edge [ source 7 target 14 label "-" ]
+    edge [ source 15 target 3 label "-" ]                                                     
+]"""
+#, name="Adenine")
+
+chain = Rule.fromGMLString(
+"""rule [
+   left [
+     edge [ source 1 target 2 label "-" ]
+     edge [ source 1 target 3 label "-" ]
+     edge [ source 4 target 5 label "#" ]
+   ]
+   context [
+     node [ id 1 label "N" ]
+     node [ id 2 label "H"]
+     node [ id 3 label "H"]
+     node [ id 4 label "C"]
+     node [ id 5 label "N"]
+   ]
+   right [
+    edge [ source 1 target 4 label "=" ]
+    edge [ source 4 target 5 label "-" ]
+    edge [ source 5 target 2 label "-" ]
+    edge [ source 5 target 3 label "-" ]                                                                                                                          
+   ]
+]"""
+)
+
+branchtriple = Rule.fromGMLString(
+"""rule [
+   left [
+    edge [ source 2 target 3 label "#" ]
+    edge [ source 5 target 6 label "-" ]
+   ]
+   context [
+    node [ id 1 label "H" ]
+    node [ id 2 label "C"]
+    node [ id 3 label "N"]
+    node [ id 4 label "N"]
+    node [ id 5 label "C"]
+    node [ id 6 label "H"]
+    edge [ source 1 target 2 label "-" ]
+    edge [ source 4 target 5 label "#" ]
+]
+   right [
+    edge [ source 2 target 3 label "=" ]
+    edge [ source 3 target 6 label "-" ]  
+    edge [ source 2 target 5 label "-" ]                                                                                                                
+   ]
+]"""
+)
+
+branchtriple = Rule.fromGMLString(
+"""rule [
+   left [
+    edge [ source 2 target 3 label "=" ]
+    edge [ source 5 target 6 label "-" ]
+   ]
+   context [
+    node [ id 1 label "H" ]
+    node [ id 2 label "C"]
+    node [ id 3 label "N"]
+    node [ id 4 label "N"]
+    node [ id 5 label "C"]
+    node [ id 6 label "H"]
+    edge [ source 1 target 2 label "-" ]
+    edge [ source 4 target 5 label "#" ]
+]
+   right [
+    edge [ source 2 target 3 label "-" ]
+    edge [ source 3 target 6 label "-" ]  
+    edge [ source 2 target 5 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") + g.vLabelCount("N") <= 10 for g in d.right)
+        ](
+            repeat(revive(inputRules)) #Revive not necessary
+        )
+)
+dg.print()
+postSection("Product Graphs")
+for a in dg.vertices:
+	a.graph.print()
+
+flow = Flow(dg)
+flow.addSource(cyanide)
+#flow.addSink(adenine)
+flow.findSolutions()
+flow.solutions.list()
+flow.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()