Dateien nach "mod/cyanide" hochladen

mod/cyanide/cyanide.py

@@ -8,7 +8,7 @@ cyanide = Graph.fromGMLString("""graph [
      edge [ source 1 target 2 label "#" ]                                                       
 ]""", name="Cyanide")
 
-#adenine = Graph.fromGMLString(
+adenine = Graph.fromGMLString(
 """graph [
     node [ id 1 label "C" ]
     node [ id 2 label "C" ]
@@ -42,9 +42,9 @@ cyanide = Graph.fromGMLString("""graph [
     edge [ source 7 target 14 label "-" ]
     edge [ source 15 target 3 label "-" ]                                                     
 ]"""
-#, name="Adenine")
+, name="Adenine")
 
-chain = Rule.fromGMLString(
+chainN = Rule.fromGMLString(
 """rule [
    left [
      edge [ source 1 target 2 label "-" ]
@@ -67,7 +67,85 @@ chain = Rule.fromGMLString(
 ]"""
 )
 
+chainC = Rule.fromGMLString(
+"""rule [
+   left [
+     edge [ source 1 target 2 label "-" ]
+     edge [ source 1 target 3 label "-" ]
+     edge [ source 3 target 4 label "#" ]
+	 edge [ source 5 target 7 label "-" ]
+   ]
+   context [
+     node [ id 1 label "C" ]
+     node [ id 2 label "H"]
+     node [ id 3 label "C"]
+     node [ id 4 label "N"]
+     node [ id 5 label "H"]
+   node [ id 6 label "H"]
+   node [ id 7 label "N"]
+   edge [ source 6 target 7 label "-" ]
+   ]
+   right [
+    edge [ source 1 target 3 label "=" ]
+    edge [ source 3 target 4 label "-" ]
+    edge [ source 3 target 7 label "-" ]
+    edge [ source 4 target 2 label "-" ]   
+	edge [ source 4 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 "_X" ]
+    node [ id 2 label "C"]
+    node [ id 3 label "N"]
+    node [ id 4 label "N"]
+    node [ id 5 label "C"]
+    node [ id 6 label "_X"]
+    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 "-" ]                                                                                                                
+   ]
+   constrainLabelAny [ label "_X" labels [ label "H" label "C" ] ]
+]"""
+)
+
+branchdouble = Rule.fromGMLString(
+"""rule [
+   left [
+    edge [ source 2 target 3 label "=" ]
+    edge [ source 5 target 6 label "-" ]
+   ]
+   context [
+    node [ id 1 label "_X" ]
+    node [ id 2 label "C"]
+    node [ id 3 label "N"]
+    node [ id 4 label "N"]
+    node [ id 5 label "C"]
+    node [ id 6 label "_X"]
+    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 "-" ]                                                                                                                
+   ]
+   constrainLabelAny [ label "_X" labels [ label "H" label "C" ] ]
+]"""
+)
+
+##branchtripleH = Rule.fromGMLString(
 """rule [
    left [
     edge [ source 2 target 3 label "#" ]
@@ -89,9 +167,9 @@ branchtriple = Rule.fromGMLString(
     edge [ source 2 target 5 label "-" ]                                                                                                                
    ]
 ]"""
-)
+#)
 
-branchtriple = Rule.fromGMLString(
+#branchdoubleH = Rule.fromGMLString(
 """rule [
    left [
     edge [ source 2 target 3 label "=" ]
@@ -113,7 +191,56 @@ branchtriple = Rule.fromGMLString(
     edge [ source 2 target 5 label "-" ]                                                                                                                
    ]
 ]"""
-)
+#)
+
+#branchtripleC = 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 "C"]
+    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 "-" ]                                                                                                                
+   ]
+]"""
+#)
+
+#branchdoubleC = 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 "C"]
+    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
@@ -141,8 +268,9 @@ for a in dg.vertices:
 
 flow = Flow(dg)
 flow.addSource(cyanide)
-#flow.addSink(adenine)
+flow.addSink(adenine)
-flow.findSolutions()
+flow.findSolutions(maxNumSolutions=2)
+#flow.findSolutions()
 flow.solutions.list()
 flow.solutions.print(flowPrinter)