Dateien nach "mod" hochladen

mod/n-methylation_explicitME.py

@@ -295,31 +295,97 @@ n7methylation = Rule.fromGMLString(
 ]"""
 )
 
-##ndemethylation = Rule.fromGMLString(
+n1demethylation = Rule.fromGMLString(
 """rule [
    left [
-        node [ id 5 label "C" ]
-        node [ id 6 label "H" ]
-        node [ id 7 label "H" ]
-        node [ id 8 label "H" ]  
-        edge [ source 2 target 5 label "-" ]                                                                                                  
-        edge [ source 5 target 6 label "-" ]
-        edge [ source 5 target 7 label "-" ]
-        edge [ source 5 target 8 label "-" ] 
+        node [ id 1 label "C" ]
+        node [ id 2 label "H" ]
+        node [ id 3 label "H" ]
+        node [ id 4 label "H" ]  
+        edge [ source 5 target 1 label "-" ]                                                                                                  
+        edge [ source 1 target 2 label "-" ]
+        edge [ source 1 target 3 label "-" ]
+        edge [ source 1 target 4 label "-" ] 
    ]
    context [
-        node [ id 2 label "N" ]
-        node [ id 3 label "C"]
-        node [ id 4 label "C"]
-        edge [ source 3 target 2 label "-" ]
-        edge [ source 4 target 2 label "-" ]
+        node [ id 5 label "N" ]
+        node [ id 6 label "C"]
+        node [ id 7 label "C"]
+        node [ id 8 label "O"]
+	   node [ id 9 label "O"]
+        edge [ source 6 target 5 label "-" ]
+        edge [ source 7 target 5 label "-" ]
+        edge [ source 6 target 8 label "=" ]
+	   edge [ source 7 target 9 label "=" ]
    ]
    right [
-        node [ id 1 label "H" ]
-        edge [ source 1 target 2 label "-" ]                        
+        node [ id 10 label "H" ]
+        edge [ source 10 target 5 label "-" ]                        
    ]
 ]"""
-#)
+)
+
+n3demethylation = Rule.fromGMLString(
+"""rule [
+   left [
+        node [ id 1 label "C" ]
+        node [ id 2 label "H" ]
+        node [ id 3 label "H" ]
+        node [ id 4 label "H" ]  
+        edge [ source 5 target 1 label "-" ]                                                                                                  
+        edge [ source 1 target 2 label "-" ]
+        edge [ source 1 target 3 label "-" ]
+        edge [ source 1 target 4 label "-" ] 
+   ]
+   context [
+        node [ id 5 label "N" ]
+        node [ id 6 label "C"]
+        node [ id 7 label "C"]
+        node [ id 8 label "O"]
+	   node [ id 9 label "N"]
+	   node [ id 10 label "H" ]
+        edge [ source 6 target 5 label "-" ]
+        edge [ source 7 target 5 label "-" ]
+        edge [ source 6 target 8 label "=" ]
+	   edge [ source 7 target 9 label "-" ]
+	   edge [ source 9 target 10 label "-" ]
+   ]
+   right [
+        node [ id 11 label "H" ]
+        edge [ source 11 target 5 label "-" ]                        
+   ]
+]"""
+)
+
+n7demethylation = Rule.fromGMLString(
+"""rule [
+   left [
+        node [ id 1 label "C" ]
+        node [ id 2 label "H" ]
+        node [ id 3 label "H" ]
+        node [ id 4 label "H" ]  
+        edge [ source 5 target 1 label "-" ]                                                                                                  
+        edge [ source 1 target 2 label "-" ]
+        edge [ source 1 target 3 label "-" ]
+        edge [ source 1 target 4 label "-" ] 
+   ]
+   context [
+        node [ id 5 label "N" ]
+        node [ id 6 label "C"]
+        node [ id 7 label "C"]
+        node [ id 8 label "N"]
+	   node [ id 9 label "H"]
+        edge [ source 6 target 5 label "-" ]
+        edge [ source 7 target 6 label "=" ]
+        edge [ source 8 target 7 label "-" ]
+	   edge [ source 9 target 8 label "-" ]
+   ]
+   right [
+        node [ id 10 label "H" ]
+        edge [ source 10 target 5 label "-" ]                        
+   ]
+]"""
+)
 
 flowPrinter = FlowPrinter()
 flowPrinter.printUnfiltered = False