feat: add diffModels for structured model comparison - #686
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compareMultipleModels and compareRxnsGenesMetsComps report overlap counts and distances; neither says what actually changed between two models. diffModels keys reactions, metabolites and genes by id and, for the ids in both models, compares stoichiometry (within a tolerance), bounds, objective coefficient, grRule, EC codes, and metabolite formula, charge and compartment. It returns an equal flag, a list of human-readable differences, and the id sets present in only one model, with per-category truncation. grRules are compared as logic, not text: each is expanded to DNF and the genes within each isozyme, and the isozymes, are sorted before comparison, so "a and b" equals "b and a". This reuses the grRule parser and is stronger than the case/whitespace string match the Python counterpart uses.
Function test results297 tests 271 ✅ 1m 13s ⏱️ Results for commit 5979f31. |
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Main improvements in this PR:
diffModels(modelA, modelB)reports what changed between two models: reaction/metabolite/gene ids present in only one, and for shared ids the differences in stoichiometry (within a tolerance), bounds, objective, grRule, EC codes, and metabolite formula/charge/compartment. Returns anequalflag plus a list of differences. The existing comparison functions only give overlap counts and distances.a and bequalsb and a— by expanding to DNF and sorting, reusing the grRule parser.tComparison.mcovering equality, dropped reactions, bounds, stoichiometry tolerance, order-insensitive grRule equality, and truncation.Instructions on merging this PR:
develop3as target branch, and will be resolved with a squash-merge.