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example_1.m2
restart load "chemical-networks.m2" -- warning: switch bac to QQ for dimension / degree and other symb. computations to make sense FF = QQ F = reactionNetwork (FF[k_1..k_6], {(A,infinity),(B,infinity),(C,infinity),(D,infinity),(E,infinity)}, { ({(1,A)} => {(2,B)},k_2,k_1), ({(1,A), (1,C)} => {(1,D)},k_4,k_3), ({(1,A), (1,C)} => {(1,B),(1,E)},0,k_5), ({(1,B), (1,E)} => {(1,D)},0,k_6) }) peek F netList F -- I consists of steady-state invariants I = ideal F R = ring I S = FF[gens R] coefficientRing R coefficientRing S -- random setting of k_i for homotopy -- lets us compute dimension kstart = apply(gens coefficientRing R, k -> k => random FF) J = sub(sub(I, kstart), S) dim J -- now add the stoichiometric equations in M = matrix {{-1,2,0,0,0},{1,0,1,-1,0},{0,1,0,-1,1},{1,-1,1,0,-1}} St = ideal(random(FF^1, FF^2) - vars S * sub(gens ker M,FF)) J = J + St -- compute dimension of ideal w/ stoichiometric eqns added help netList flatten entries gens J dim J -- now, what happens when k_5 ==0 -- TODO: write function to automate later -- zeroOut = (Paramlist, I) -> apply(Paramlist J' = sub(sub(sub(I, {k_2 => 0, k_6 => 0}), kstart), S) coefficientRing ring J' J' = J' + St dim J' degree J degree J' degree J needsPackage "NumericalAlgebraicGeometry" -- randmat lets us square up overdetermined systems J, J' randmat = random(FF^5, FF^7) rank randmat -- construct start system G G = polySystem(randmat * transpose gens J ) peek G -- we can solve G sols = solveSystem polySystem J netList sols realPoints sols degree J' G' = polySystem(randmat * transpose gens J' ) -- solve zeroed out system using homotopy cont sols' = track(G, G', sols) netList sols' peek sols' -- sanity check for sols' sols'' = solveSystem polySystem J' sols'' help solveSystem netList sortSolutions sols' netList sortSolutions sols'' -- automate deletion of edge -- graphs package, digraphs? -- function which creates rxn network from graph -- gens for stoichiometric space, separate from ss invariants desirable -- y matrix, A matrix -- check toric, check balanced, check endotactic? -- multistationarity (real, pos >1)? -- manipulations of CRNs: how to reduce, needsPackage "Graphs" ReactionNetwork = new Type of Graph