config.ilp.solver="CPLEX"

vanilline = Graph.fromGMLString(
"""
	graph [
	    node [ id 1 label "C" ]
		node [ id 2 label "C" ]
		node [ id 3 label "C" ]
		node [ id 4 label "C" ]
		node [ id 5 label "C" ]
		node [ id 6 label "C" ]
		node [ id 7 label "O" ]
		node [ id 8 label "O" ]
		node [ id 9 label "H" ]
		node [ id 10 label "H" ]
		node [ id 11 label "C" ]
		node [ id 12 label "O" ]
		node [ id 13 label "H" ]
		node [ id 19 label "H" ]
		node [ id 20 label "H" ]
		node [ id 21 label "H" ]
		edge [ source 9 target 8 label "-" ]
		edge [ source 8 target 2 label "-" ]
		edge [ source 10 target 7 label "-" ]
		edge [ source 7 target 3 label "-" ]
		edge [ source 3 target 2 label ":" ]
		edge [ source 2 target 1 label ":" ]
		edge [ source 1 target 6 label ":" ]
		edge [ source 6 target 5 label ":" ]
		edge [ source 5 target 4 label ":" ]
		edge [ source 4 target 3 label ":" ]
		edge [ source 6 target 11 label "-" ]
		edge [ source 11 target 13 label "-" ]
		edge [ source 11 target 12 label "=" ]
		edge [ source 19 target 1 label "-" ]
		edge [ source 5 target 21 label "-" ]
		edge [ source 4 target 20 label "-" ]
	]
"""
, name="Vanilline")

cinnamon = Graph.fromGMLString(
"""
    graph [
        node [ id 1 label "C" ]
		node [ id 2 label "C" ]
		node [ id 3 label "C" ]
		node [ id 4 label "C" ]
		node [ id 5 label "C" ]
		node [ id 6 label "C" ]
		node [ id 7 label "H" ]
		node [ id 8 label "H" ]
		node [ id 9 label "H" ]
		node [ id 10 label "H" ]
		node [ id 11 label "H" ]
		node [ id 12 label "C" ]
		node [ id 15 label "C" ]
		node [ id 28 label "H" ]
		node [ id 29 label "H" ]
		node [ id 30 label "C" ]
		node [ id 31 label "O" ]
		node [ id 32 label "O" ]
		node [ id 33 label "H" ]
		edge [ source 6 target 1 label ":" ]
		edge [ source 1 target 7 label "-" ]
		edge [ source 1 target 2 label ":" ]
		edge [ source 2 target 8 label "-" ]
		edge [ source 2 target 3 label ":" ]
		edge [ source 3 target 9 label "-" ]
		edge [ source 3 target 4 label ":" ]
		edge [ source 4 target 10 label "-" ]
		edge [ source 4 target 5 label ":" ]
		edge [ source 5 target 11 label "-" ]
		edge [ source 5 target 6 label ":" ]
		edge [ source 6 target 12 label "-" ]
		edge [ source 12 target 15 label "=" ]
		edge [ source 12 target 28 label "-" ]
		edge [ source 15 target 29 label "-" ]
		edge [ source 15 target 30 label "-" ]
		edge [ source 30 target 32 label "=" ]
		edge [ source 30 target 31 label "-" ]
		edge [ source 31 target 33 label "-" ]
	]
"""
, name="Cinnamon")


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 "-" ]                   
   ]
]
"""
)


aldehydation = Rule.fromGMLString(
"""
rule [
	left [
		node [ id 3 label "C" ]
		node [ id 4 label "H" ]
		node [ id 5 label "C" ]
		node [ id 8 label "H" ]
		node [ id 7 label "O" ]
		node [ id 6 label "O" ]
		edge [ source 1 target 3 label "=" ]
		edge [ source 8 target 7 label "-" ]
		edge [ source 7 target 5 label "-" ]
		edge [ source 5 target 6 label "=" ]
		edge [ source 5 target 3 label "-" ]
		edge [ source 3 target 4 label "-" ]
	]
	context [
		node [ id 1 label "C" ]
	]
	right [
		node [ id 2 label "O" ]
		edge [ source 1 target 2 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)
	>>repeat(inputRules)
)

dg.print()
postSection("Product Graphs")
for a in dg.vertices:
	a.graph.print()

flow = Flow(dg)

flow.addSource(cinnamon)
flow.addSink(vanilline)
#Vanilla has 6
flow.findSolutions(maxNumSolutions=7)
#flow.addConstraint(inFlow(cinnamon) == 1)
#flow.addConstraint(outFlow(vanilline) == 1)

'''
flow.addSource(phenylalanine)
flow.addSink(noradrenalin)
#Dopamine has 24
flow.findSolutions(maxNumSolutions=25)
#flow.addConstraint(inFlow(phenylalanine) == 1)
#flow.addConstraint(outFlow(noradrenalin) == 1)
'''
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()