import gurobipy as gp from gurobipy import GRB, Model, quicksum HYPERGRAPH = { 1, (['Butadien'], ['Butadien']), 4, (['Butadien', 'Butadien'], ['p_{0,0}', 'p_{0,1}']), 5, (['Butadien', 'Butadien'], ['Butadien', 'Butadien']), 7, (['Butadien', 'Butadien'], ['p_{0,2}']), 9, (['p_{0,0}', 'p_{0,0}'], ['p_{0,0}', 'p_{0,0}']), 10, (['p_{0,0}', 'p_{0,1}'], ['Butadien', 'Butadien']), 11, (['p_{0,0}', 'p_{0,1}'], ['p_{0,0}', 'p_{0,1}']), 13, (['p_{0,0}', 'p_{0,2}'], ['p_{0,3}']), 14, (['p_{0,0}', 'p_{0,2}'], ['p_{0,0}', 'p_{0,2}']), 15, (['Butadien', 'p_{0,0}'], ['Butadien', 'p_{0,0}']), 16, (['p_{0,1}', 'p_{0,1}'], ['p_{0,1}', 'p_{0,1}']), 18, (['p_{0,1}', 'p_{0,1}'], ['Butadien', 'p_{0,4}']), 20, (['p_{0,1}', 'p_{0,2}'], ['Butadien', 'p_{0,5}']), 21, (['Butadien', 'p_{0,1}'], ['Butadien', 'p_{0,1}']), 22, (['p_{0,1}', 'p_{0,2}'], ['p_{0,1}', 'p_{0,2}']), 23, (['Butadien', 'p_{0,1}'], ['p_{0,0}', 'p_{0,4}']), 24, (['p_{0,2}', 'p_{0,2}'], ['p_{0,2}', 'p_{0,2}']), 25, (['Butadien', 'p_{0,2}'], ['Butadien', 'p_{0,2}']), 26, (['Butadien', 'p_{0,2}'], ['p_{0,0}', 'p_{0,5}']), 28, (['p_{0,0}', 'p_{0,1}'], ['p_{0,6}']), 30, (['Butadien', 'p_{0,0}'], ['p_{0,7}']), 32, (['Butadien', 'p_{0,1}'], ['p_{0,8}']), 33, (['Butadien', 'p_{0,1}'], ['p_{0,5}']), 35, (['Butadien', 'p_{0,1}'], ['p_{0,9}']), 37, (['Butadien', 'p_{0,1}'], ['p_{0,10}']), 38, (['p_{0,3}'], ['p_{0,0}', 'p_{0,2}']), 42, (['p_{0,4}'], ['p_{0,0}', 'p_{0,11}']), 50, (['p_{0,3}', 'p_{0,3}'], ['p_{0,3}', 'p_{0,3}']), 51, (['p_{0,3}', 'p_{0,4}'], ['p_{0,3}', 'p_{0,4}']), 52, (['p_{0,3}', 'p_{0,5}'], ['p_{0,3}', 'p_{0,5}']), 53, (['p_{0,3}', 'p_{0,6}'], ['p_{0,3}', 'p_{0,6}']), 54, (['p_{0,3}', 'p_{0,8}'], ['p_{0,3}', 'p_{0,8}']), 55, (['p_{0,3}', 'p_{0,9}'], ['p_{0,3}', 'p_{0,9}']), 56, (['p_{0,3}', 'p_{0,10}'], ['p_{0,3}', 'p_{0,10}']), 57, (['p_{0,2}', 'p_{0,3}'], ['p_{0,2}', 'p_{0,3}']), 58, (['p_{0,0}', 'p_{0,3}'], ['p_{0,0}', 'p_{0,3}']), 59, (['Butadien', 'p_{0,3}'], ['Butadien', 'p_{0,3}']), 60, (['p_{0,1}', 'p_{0,3}'], ['p_{0,1}', 'p_{0,3}']), 61, (['p_{0,4}', 'p_{0,4}'], ['p_{0,4}', 'p_{0,4}']), 62, (['p_{0,4}', 'p_{0,5}'], ['p_{0,4}', 'p_{0,5}']), 64, (['p_{0,4}', 'p_{0,6}'], ['p_{0,1}', 'p_{0,13}']), 65, (['p_{0,2}', 'p_{0,4}'], ['p_{0,1}', 'p_{0,5}']), 66, (['p_{0,0}', 'p_{0,4}'], ['Butadien', 'p_{0,1}']), 67, (['Butadien', 'p_{0,4}'], ['p_{0,1}', 'p_{0,1}']), 68, (['Butadien', 'p_{0,4}'], ['Butadien', 'p_{0,4}']), 69, (['p_{0,1}', 'p_{0,4}'], ['p_{0,1}', 'p_{0,4}']), 70, (['p_{0,4}', 'p_{0,6}'], ['p_{0,4}', 'p_{0,6}']), 71, (['p_{0,4}', 'p_{0,8}'], ['p_{0,4}', 'p_{0,8}']), 72, (['p_{0,4}', 'p_{0,9}'], ['p_{0,4}', 'p_{0,9}']), 73, (['p_{0,4}', 'p_{0,10}'], ['p_{0,4}', 'p_{0,10}']), 74, (['p_{0,2}', 'p_{0,4}'], ['p_{0,2}', 'p_{0,4}']), 75, (['p_{0,0}', 'p_{0,4}'], ['p_{0,0}', 'p_{0,4}']), 76, (['p_{0,5}', 'p_{0,5}'], ['p_{0,5}', 'p_{0,5}']), 77, (['p_{0,5}', 'p_{0,6}'], ['p_{0,2}', 'p_{0,13}']), 78, (['p_{0,2}', 'p_{0,5}'], ['p_{0,2}', 'p_{0,5}']), 79, (['p_{0,0}', 'p_{0,5}'], ['Butadien', 'p_{0,2}']), 80, (['Butadien', 'p_{0,5}'], ['p_{0,1}', 'p_{0,2}']), 81, (['Butadien', 'p_{0,5}'], ['Butadien', 'p_{0,5}']), 82, (['p_{0,1}', 'p_{0,5}'], ['p_{0,1}', 'p_{0,5}']), 83, (['p_{0,1}', 'p_{0,5}'], ['p_{0,2}', 'p_{0,4}']), 84, (['p_{0,5}', 'p_{0,6}'], ['p_{0,5}', 'p_{0,6}']), 85, (['p_{0,5}', 'p_{0,8}'], ['p_{0,5}', 'p_{0,8}']), 86, (['p_{0,5}', 'p_{0,9}'], ['p_{0,5}', 'p_{0,9}']), 87, (['p_{0,5}', 'p_{0,10}'], ['p_{0,5}', 'p_{0,10}']), 88, (['p_{0,0}', 'p_{0,5}'], ['p_{0,0}', 'p_{0,5}']), 89, (['p_{0,6}', 'p_{0,6}'], ['p_{0,6}', 'p_{0,6}']), 90, (['p_{0,6}', 'p_{0,8}'], ['p_{0,6}', 'p_{0,8}']), 91, (['p_{0,6}', 'p_{0,9}'], ['p_{0,6}', 'p_{0,9}']), 92, (['p_{0,6}', 'p_{0,10}'], ['p_{0,6}', 'p_{0,10}']), 93, (['p_{0,2}', 'p_{0,6}'], ['p_{0,2}', 'p_{0,6}']), 94, (['p_{0,0}', 'p_{0,6}'], ['p_{0,0}', 'p_{0,6}']), 95, (['Butadien', 'p_{0,6}'], ['Butadien', 'p_{0,6}']), 96, (['Butadien', 'p_{0,6}'], ['p_{0,0}', 'p_{0,13}']), 97, (['p_{0,1}', 'p_{0,6}'], ['Butadien', 'p_{0,13}']), 98, (['p_{0,1}', 'p_{0,6}'], ['p_{0,1}', 'p_{0,6}']), 100, (['p_{0,0}', 'p_{0,6}'], ['p_{0,14}']), 102, (['p_{0,0}', 'p_{0,7}'], ['p_{0,15}']), 103, (['p_{0,8}', 'p_{0,8}'], ['p_{0,8}', 'p_{0,8}']), 104, (['p_{0,8}', 'p_{0,9}'], ['p_{0,8}', 'p_{0,9}']), 105, (['p_{0,8}', 'p_{0,10}'], ['p_{0,8}', 'p_{0,10}']), 106, (['p_{0,2}', 'p_{0,8}'], ['p_{0,2}', 'p_{0,8}']), 107, (['p_{0,0}', 'p_{0,8}'], ['p_{0,0}', 'p_{0,8}']), 108, (['Butadien', 'p_{0,8}'], ['Butadien', 'p_{0,8}']), 109, (['p_{0,1}', 'p_{0,8}'], ['p_{0,1}', 'p_{0,8}']), 110, (['p_{0,9}', 'p_{0,9}'], ['p_{0,9}', 'p_{0,9}']), 111, (['p_{0,9}', 'p_{0,10}'], ['p_{0,9}', 'p_{0,10}']), 112, (['p_{0,2}', 'p_{0,9}'], ['p_{0,2}', 'p_{0,9}']), 113, (['p_{0,0}', 'p_{0,9}'], ['p_{0,0}', 'p_{0,9}']), 114, (['Butadien', 'p_{0,9}'], ['Butadien', 'p_{0,9}']), 115, (['p_{0,1}', 'p_{0,9}'], ['p_{0,1}', 'p_{0,9}']), 116, (['p_{0,10}', 'p_{0,10}'], ['p_{0,10}', 'p_{0,10}']), 117, (['p_{0,2}', 'p_{0,10}'], ['p_{0,2}', 'p_{0,10}']), 118, (['p_{0,0}', 'p_{0,10}'], ['p_{0,0}', 'p_{0,10}']), 119, (['Butadien', 'p_{0,10}'], ['Butadien', 'p_{0,10}']), 120, (['p_{0,1}', 'p_{0,10}'], ['p_{0,1}', 'p_{0,10}']), 121, (['p_{0,0}', 'p_{0,4}'], ['p_{0,13}']), 123, (['p_{0,0}', 'p_{0,4}'], ['p_{0,16}']), 125, (['Butadien', 'p_{0,7}'], ['p_{0,17}']), 130, (['p_{0,14}'], ['p_{0,0}', 'p_{0,6}']), 132, (['p_{0,15}'], ['p_{0,0}', 'p_{0,7}']), 135, (['p_{0,0}', 'p_{0,11}'], ['p_{0,4}']), 136, (['p_{0,12}', 'p_{0,12}'], ['p_{0,12}', 'p_{0,12}']), 137, (['p_{0,12}', 'p_{0,13}'], ['p_{0,12}', 'p_{0,13}']), 138, (['p_{0,12}', 'p_{0,14}'], ['p_{0,12}', 'p_{0,14}']), 139, (['p_{0,12}', 'p_{0,15}'], ['p_{0,12}', 'p_{0,15}']), 140, (['p_{0,12}', 'p_{0,16}'], ['p_{0,12}', 'p_{0,16}']), 141, (['p_{0,8}', 'p_{0,12}'], ['p_{0,8}', 'p_{0,12}']), 142, (['p_{0,9}', 'p_{0,12}'], ['p_{0,9}', 'p_{0,12}']), 143, (['Butadien', 'p_{0,12}'], ['Butadien', 'p_{0,12}']), 144, (['p_{0,10}', 'p_{0,12}'], ['p_{0,10}', 'p_{0,12}']), 145, (['p_{0,0}', 'p_{0,12}'], ['p_{0,0}', 'p_{0,12}']), 146, (['p_{0,1}', 'p_{0,12}'], ['p_{0,1}', 'p_{0,12}']), 147, (['p_{0,2}', 'p_{0,12}'], ['p_{0,2}', 'p_{0,12}']), 148, (['p_{0,3}', 'p_{0,12}'], ['p_{0,3}', 'p_{0,12}']), 149, (['p_{0,4}', 'p_{0,12}'], ['p_{0,4}', 'p_{0,12}']), 150, (['p_{0,5}', 'p_{0,12}'], ['p_{0,5}', 'p_{0,12}']), 151, (['p_{0,6}', 'p_{0,12}'], ['p_{0,6}', 'p_{0,12}']), 152, (['p_{0,13}', 'p_{0,13}'], ['p_{0,13}', 'p_{0,13}']), 153, (['Butadien', 'p_{0,13}'], ['p_{0,1}', 'p_{0,6}']), 154, (['Butadien', 'p_{0,13}'], ['Butadien', 'p_{0,13}']), 155, (['p_{0,0}', 'p_{0,13}'], ['Butadien', 'p_{0,6}']), 156, (['p_{0,1}', 'p_{0,13}'], ['p_{0,1}', 'p_{0,13}']), 157, (['p_{0,1}', 'p_{0,13}'], ['p_{0,4}', 'p_{0,6}']), 158, (['p_{0,2}', 'p_{0,13}'], ['p_{0,5}', 'p_{0,6}']), 159, (['p_{0,4}', 'p_{0,13}'], ['p_{0,4}', 'p_{0,13}']), 160, (['p_{0,5}', 'p_{0,13}'], ['p_{0,5}', 'p_{0,13}']), 161, (['p_{0,6}', 'p_{0,13}'], ['p_{0,6}', 'p_{0,13}']), 162, (['p_{0,13}', 'p_{0,14}'], ['p_{0,13}', 'p_{0,14}']), 163, (['p_{0,13}', 'p_{0,15}'], ['p_{0,13}', 'p_{0,15}']), 164, (['p_{0,13}', 'p_{0,16}'], ['p_{0,13}', 'p_{0,16}']), 165, (['p_{0,8}', 'p_{0,13}'], ['p_{0,8}', 'p_{0,13}']), 166, (['p_{0,9}', 'p_{0,13}'], ['p_{0,9}', 'p_{0,13}']), 167, (['p_{0,10}', 'p_{0,13}'], ['p_{0,10}', 'p_{0,13}']), 168, (['p_{0,0}', 'p_{0,13}'], ['p_{0,0}', 'p_{0,13}']), 169, (['p_{0,2}', 'p_{0,13}'], ['p_{0,2}', 'p_{0,13}']), 170, (['p_{0,3}', 'p_{0,13}'], ['p_{0,3}', 'p_{0,13}']), 171, (['p_{0,14}', 'p_{0,14}'], ['p_{0,14}', 'p_{0,14}']), 172, (['p_{0,14}', 'p_{0,15}'], ['p_{0,14}', 'p_{0,15}']), 173, (['p_{0,14}', 'p_{0,16}'], ['p_{0,14}', 'p_{0,16}']), 174, (['p_{0,8}', 'p_{0,14}'], ['p_{0,8}', 'p_{0,14}']), 175, (['p_{0,9}', 'p_{0,14}'], ['p_{0,9}', 'p_{0,14}']), 176, (['Butadien', 'p_{0,14}'], ['Butadien', 'p_{0,14}']), 177, (['p_{0,10}', 'p_{0,14}'], ['p_{0,10}', 'p_{0,14}']), 178, (['p_{0,0}', 'p_{0,14}'], ['p_{0,0}', 'p_{0,14}']), 179, (['p_{0,1}', 'p_{0,14}'], ['p_{0,1}', 'p_{0,14}']), 180, (['p_{0,2}', 'p_{0,14}'], ['p_{0,2}', 'p_{0,14}']), 181, (['p_{0,3}', 'p_{0,14}'], ['p_{0,3}', 'p_{0,14}']), 182, (['p_{0,4}', 'p_{0,14}'], ['p_{0,4}', 'p_{0,14}']), 183, (['p_{0,5}', 'p_{0,14}'], ['p_{0,5}', 'p_{0,14}']), 184, (['p_{0,6}', 'p_{0,14}'], ['p_{0,6}', 'p_{0,14}']), 185, (['p_{0,15}', 'p_{0,15}'], ['p_{0,15}', 'p_{0,15}']), 186, (['p_{0,15}', 'p_{0,16}'], ['p_{0,15}', 'p_{0,16}']), 187, (['p_{0,8}', 'p_{0,15}'], ['p_{0,8}', 'p_{0,15}']), 188, (['p_{0,9}', 'p_{0,15}'], ['p_{0,9}', 'p_{0,15}']), 189, (['Butadien', 'p_{0,15}'], ['Butadien', 'p_{0,15}']), 190, (['p_{0,10}', 'p_{0,15}'], ['p_{0,10}', 'p_{0,15}']), 191, (['p_{0,0}', 'p_{0,15}'], ['p_{0,0}', 'p_{0,15}']), 192, (['p_{0,1}', 'p_{0,15}'], ['p_{0,1}', 'p_{0,15}']), 193, (['p_{0,2}', 'p_{0,15}'], ['p_{0,2}', 'p_{0,15}']), 194, (['p_{0,3}', 'p_{0,15}'], ['p_{0,3}', 'p_{0,15}']), 195, (['p_{0,4}', 'p_{0,15}'], ['p_{0,4}', 'p_{0,15}']), 196, (['p_{0,5}', 'p_{0,15}'], ['p_{0,5}', 'p_{0,15}']), 197, (['p_{0,6}', 'p_{0,15}'], ['p_{0,6}', 'p_{0,15}']), 198, (['p_{0,16}', 'p_{0,16}'], ['p_{0,16}', 'p_{0,16}']), 199, (['p_{0,8}', 'p_{0,16}'], ['p_{0,8}', 'p_{0,16}']), 200, (['p_{0,9}', 'p_{0,16}'], ['p_{0,9}', 'p_{0,16}']), 201, (['Butadien', 'p_{0,16}'], ['Butadien', 'p_{0,16}']), 202, (['p_{0,10}', 'p_{0,16}'], ['p_{0,10}', 'p_{0,16}']), 203, (['p_{0,0}', 'p_{0,16}'], ['p_{0,0}', 'p_{0,16}']), 204, (['p_{0,1}', 'p_{0,16}'], ['p_{0,1}', 'p_{0,16}']), 205, (['p_{0,2}', 'p_{0,16}'], ['p_{0,2}', 'p_{0,16}']), 206, (['p_{0,3}', 'p_{0,16}'], ['p_{0,3}', 'p_{0,16}']), 207, (['p_{0,4}', 'p_{0,16}'], ['p_{0,4}', 'p_{0,16}']), 208, (['p_{0,5}', 'p_{0,16}'], ['p_{0,5}', 'p_{0,16}']), 209, (['p_{0,6}', 'p_{0,16}'], ['p_{0,6}', 'p_{0,16}']), 211, (['Butadien', 'p_{0,11}'], ['p_{0,18}']), 8, (['p_{0,1}'], ['p_{0,1}']), 39, (['p_{0,3}'], ['p_{0,3}']), 40, (['p_{0,4}'], ['p_{0,4}']), 44, (['p_{0,5}'], ['p_{0,12}']), 45, (['p_{0,5}'], ['p_{0,5}']), 46, (['p_{0,6}'], ['p_{0,6}']), 47, (['p_{0,8}'], ['p_{0,8}']), 48, (['p_{0,9}'], ['p_{0,9}']), 49, (['p_{0,10}'], ['p_{0,10}']), 126, (['p_{0,11}'], ['p_{0,11}']), 127, (['p_{0,12}'], ['p_{0,5}']), 128, (['p_{0,12}'], ['p_{0,12}']), 129, (['p_{0,13}'], ['p_{0,13}']), 131, (['p_{0,14}'], ['p_{0,14}']), 133, (['p_{0,15}'], ['p_{0,15}']), 134, (['p_{0,16}'], ['p_{0,16}']), 212, (['p_{0,18}'], ['p_{0,18}']), } VERTICES = ['Butadien', 'p_{0,0}', 'p_{0,1}', 'p_{0,2}', 'p_{0,3}', 'p_{0,4}', 'p_{0,5}', 'p_{0,6}', 'p_{0,7}', 'p_{0,8}', 'p_{0,9}', 'p_{0,10}', 'p_{0,11}', 'p_{0,12}', 'p_{0,13}', 'p_{0,14}', 'p_{0,15}', 'p_{0,16}', 'p_{0,17}', 'p_{0,18}'] #Vergleich mit dem NMR von Ethylen und Hexatrien NMR1 = [0.32, 0.5, 0.87, 0.0, 0.11, 0.58, 0.06, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.09, 0.0, 0.0, 0.17, 0.0, 0.09] #Vergleich mit dem NMR von Ethylen und Octrien NMR2 = [0.33, 0.43, 0.6, 0.0, 0.13, 0.9, 0.07, 0.01, 0.0, 0.0, 0.01, 0.0, 0.0, 0.01, 0.1, 0.0, 0.0, 0.22, 0.0, 0.13] #Vergleich mit dem NMR von Ethylen und Benzol NMR3 = [0.0, 0.32, 0.0, 0.0, 0.0, 0.0, 0.05, 0.0, 0.0, 0.02, 0.0, 0.29, 0.95, 0.17, 0.0, 0.0, 0.0, 0.0, 0.0, 0.05] VERTICESSMILES = ['C=CC=C', 'C=C', 'C=CC=CC=C', 'C1CCC(C=C)CC=1', 'C(CCC(C=C)CC=C)=C', 'C=CC=CC=CC=C', 'C1CCC(C=CC=C)CC=1', 'C=CC1C=CCCC1', 'C1CCCCC=1', 'C=CC1CC=CCC1C=C', 'C1CCC(C=C)C(C=C)C=1', 'C(C1CC(C=C)C=CC1)=C', 'C1C=CC=CC=1', 'C(CCC1C=CC=CC1)=C', 'C1C(C=CC=C)CCCC=1', 'C=CC(C=C)CCCC=C', 'C=CCCCCC=C', 'C=CC1C=CC(C=C)CC1', 'C1CC2CCCCC2CC=1', 'C1CC2C=CC=CC2CC=1'] FIXED_FLOWS = { #1: 1, } def build_model(name, hyperedges, vertices, nmrlikelihoods1, nmrlikelihoods2, nmrlikelihoods3, excluded_support=None): model = Model(name) x = {e_id: model.addVar(vtype=GRB.INTEGER, lb = 0, name = f"x_{e_id}") for e_id in hyperedges} b = {e_id: model.addVar(vtype=GRB.BINARY, name = f"b_{e_id}") for e_id in hyperedges} n1 = model.addVars(vertices, vtype=GRB.CONTINUOUS, lb = 0.0, ub = 1.0, name = "nmr1") n2 = model.addVars(vertices, vtype=GRB.CONTINUOUS, lb = 0.0, ub = 1.0, name = "nmr2") n3 = model.addVars(vertices, vtype=GRB.CONTINUOUS, lb = 0.0, ub = 1.0, name = "nmr3") en1 = model.addVars(vertices, vtype=GRB.CONTINUOUS, lb = 0.0, ub = 2.0, name = "edgenmr1") en2 = model.addVars(vertices, vtype=GRB.CONTINUOUS, lb = 0.0, ub = 2.0, name = "edgenmr2") en3 = model.addVars(vertices, vtype=GRB.CONTINUOUS, lb = 0.0, ub = 2.0, name = "edgenmr3") #Assigns every Molecule the likelihood compared to the three different reference spectra for v, nmr1, nmr2, nmr3 in zip(vertices, nmrlikelihoods1, nmrlikelihoods2, nmrlikelihoods3): n1[v] = nmr1 n2[v] = nmr2 n3[v] = nmr3 #Assigns the edges a likelihood based on the products for e, (_, heads) in hyperedges.items(): en1[e] = quicksum(n1[head] for head in heads) en2[e] = quicksum(n2[head] for head in heads) en3[e] = quicksum(n3[head] for head in heads) print(en1[7]) vertices = set(v for tails, heads in hyperedges.values() for v in tails + heads) for v in vertices: inflow = quicksum(x[e_id] for e_id, (_, heads) in hyperedges.items() if v in heads) outflow = quicksum(x[e_id] for e_id, (tails, _) in hyperedges.items() if v in tails) model.addConstr(inflow == outflow, name = f"flow_conservation_{v}") for e_id, value in FIXED_FLOWS.items(): model.addConstr(x[e_id] == value, name = f"fixed_flow_{e_id}") for e_id in hyperedges: model.addGenConstrIndicator(b[e_id], 0, x[e_id] == 0, name = f"unused_implies_zero_{e_id}") model.addConstr(x[e_id] >= b[e_id], name = f"used_implies_positive_flow_{e_id}") reaction_path = {} if excluded_support: model.addConstr(quicksum(b[e_id] for e_id in excluded_support) <= len(excluded_support) - 1, name = "different_hyperedges",) #Multiplizier den node Wert mit infow + outflow model.ModelSense = GRB.MAXIMIZE #Multiply node value with infow or outflow model.setObjectiveN( quicksum(n[t_id[0]] * x[e_id] for e_id, (_, t_id) in hyperedges.items() if t_id != []), index = 0, priority = 2, name = "maximize_nmr_similarity", ) model.setObjectiveN( quicksum(-1 * x[e_id] for e_id in hyperedges), index=1, priority=1, name="minimize_used_hyperedges", ) return model, x, b def positive_entries(variable_dict, threshold = 0.5): return {e_id: var.X for e_id, var in variable_dict.items() if var.X > threshold} def print_solution(title, flow_solution, binary_solution, hyperedges): print(f"\n{title}:") for e_id in sorted(flow_solution): flow = flow_solution[e_id] tails, heads = hyperedges[e_id] print(f"Hyperedge {e_id}: Flow = {flow}, Tails = {tails}, Heads = {heads}") print("\nBinary Variables:") for e_id in sorted(binary_solution): print(f"Binary Variable b_{e_id} = {binary_solution[e_id]}") print(f"\nTotal flow: {sum(flow_solution.values())}") print(f"Number of used hyperedges: {len(binary_solution)}") def main(): model, x, b = build_model("HypergraphFlow", HYPEREDGES, VERTICES, NMR1, NMR2, NMR3) model.optimize() if model.status != GRB.Status.OPTIMAL: print("No optimal solution found for the first model.") return optimal_solution = positive_entries(x) optimal_binary_solution = positive_entries(b) print_solution("Optimal Solution", optimal_solution, optimal_binary_solution, HYPEREDGES) """ excluded_support = list(optimal_binary_solution.keys()) second_model, x2, b2 = build_model("SecondBestHypergraphFlow", HYPEREDGES, excluded_support=excluded_support,) second_model.optimize() if second_model.status == GRB.Status.OPTIMAL: second_solution = positive_entries(x2) second_binary_solution = positive_entries(b2) print_solution("Second Best Solution", second_solution, second_binary_solution, HYPEREDGES, VERTICES) else: print("No optimal solution found for the second best model.") """ if __name__ == "__main__": main()