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Graph umschreibung nur Caffeine synthese aus xanthine und nur Methylierung

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kilian 2026-05-15 12:18:05 +02:00
parent 7a41f0acc9
commit 627a95746e
2 changed files with 16 additions and 40 deletions
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56
mod/n-methylation.py
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@ -91,53 +91,29 @@ caffeine = Graph.fromGMLString("""graph [
nmethylation = Rule.fromGMLString( nmethylation = Rule.fromGMLString(
"""rule [ """rule [
left [ left [
node [ id 1 label "H" ] node [ id 1 label "H" ]
edge [ source 1 target 2 label "-" ] edge [ source 1 target 2 label "-" ]
] ]
context [ context [
node [ id 2 label "N" ] node [ id 2 label "N" ]
node [ id 3 label "C"] node [ id 3 label "C"]
node [ id 4 label "C"] node [ id 4 label "C"]
edge [ source 3 target 2 label "-" ] edge [ source 3 target 2 label "-" ]
edge [ source 4 target 2 label "-" ] edge [ source 4 target 2 label "-" ]
] ]
right [ right [
node [ id 5 label "C" ] node [ id 5 label "C" ]
node [ id 6 label "H" ] node [ id 6 label "H" ]
node [ id 7 label "H" ] node [ id 7 label "H" ]
node [ id 8 label "H" ] node [ id 8 label "H" ]
edge [ source 2 target 5 label "-" ] edge [ source 2 target 5 label "-" ]
edge [ source 5 target 6 label "-" ] edge [ source 5 target 6 label "-" ]
edge [ source 5 target 7 label "-" ] edge [ source 5 target 7 label "-" ]
edge [ source 5 target 8 label "-" ] edge [ source 5 target 8 label "-" ]
] ]
]""" ]"""
) )
ndemethylation = 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 "-" ]
]
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 "-" ]
]
right [
node [ id 1 label "H" ]
edge [ source 1 target 2 label "-" ]
]
]""")
flowPrinter = FlowPrinter() flowPrinter = FlowPrinter()
flowPrinter.printUnfiltered = False flowPrinter.printUnfiltered = False
@ -152,7 +128,7 @@ dg = DG(graphDatabase=inputGraphs)
dg.build().execute( dg.build().execute(
addSubset(inputGraphs) addSubset(inputGraphs)
>> rightPredicate[ >> rightPredicate[
lambda d: all(g.vLabelCount("C") <= 10 for g in d.right) lambda d: all(g.vLabelCount("C") <= 20 for g in d.right)
]( ](
repeat(inputRules) repeat(inputRules)
) )

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mod/summaryOneWay.pdf Normal file
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