synkit 1.6.5__py3-none-win_amd64.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- synkit/CRN/Benchmark/__init__.py +53 -0
- synkit/CRN/Benchmark/crosschecks.py +13 -0
- synkit/CRN/Benchmark/kegg.py +12 -0
- synkit/CRN/Benchmark/networks.py +13 -0
- synkit/CRN/Benchmark/scaling.py +13 -0
- synkit/CRN/Benchmark/validate.py +13 -0
- synkit/CRN/Construct/__init__.py +16 -0
- synkit/CRN/Construct/abstract.py +668 -0
- synkit/CRN/Construct/arity.py +36 -0
- synkit/CRN/Construct/builder.py +619 -0
- synkit/CRN/Construct/derivation.py +63 -0
- synkit/CRN/Construct/flattener.py +100 -0
- synkit/CRN/Construct/keys.py +14 -0
- synkit/CRN/Construct/mixtures.py +117 -0
- synkit/CRN/Construct/rdkit_worker.py +69 -0
- synkit/CRN/Construct/smiles.py +99 -0
- synkit/CRN/Construct/state.py +31 -0
- synkit/CRN/Construct/strategy.py +75 -0
- synkit/CRN/Construct/worker.py +42 -0
- synkit/CRN/IO/__init__.py +36 -0
- synkit/CRN/IO/sbml.py +925 -0
- synkit/CRN/Pathway/__init__.py +72 -0
- synkit/CRN/Pathway/_adapter.py +333 -0
- synkit/CRN/Pathway/pathfinder.py +500 -0
- synkit/CRN/Pathway/reachability.py +796 -0
- synkit/CRN/Pathway/realizability.py +1322 -0
- synkit/CRN/Petrinet/__init__.py +93 -0
- synkit/CRN/Petrinet/analyzer.py +486 -0
- synkit/CRN/Petrinet/minimal_semiflows.py +436 -0
- synkit/CRN/Petrinet/net.py +1041 -0
- synkit/CRN/Petrinet/persistence.py +97 -0
- synkit/CRN/Petrinet/semiflows.py +483 -0
- synkit/CRN/Petrinet/siphon_search.py +402 -0
- synkit/CRN/Petrinet/structure.py +286 -0
- synkit/CRN/Props/__init__.py +130 -0
- synkit/CRN/Props/_rank.py +29 -0
- synkit/CRN/Props/deficiency.py +953 -0
- synkit/CRN/Props/dynamics.py +832 -0
- synkit/CRN/Props/helper.py +151 -0
- synkit/CRN/Props/stoich.py +751 -0
- synkit/CRN/Props/thermo.py +584 -0
- synkit/CRN/Query/__init__.py +66 -0
- synkit/CRN/Query/cache.py +41 -0
- synkit/CRN/Query/kegg_api.py +99 -0
- synkit/CRN/Query/kegg_extract.py +714 -0
- synkit/CRN/Query/kegg_impute.py +707 -0
- synkit/CRN/Query/kegg_parse.py +480 -0
- synkit/CRN/Query/to_syncrn.py +290 -0
- synkit/CRN/README.md +234 -0
- synkit/CRN/Structure/__init__.py +12 -0
- synkit/CRN/Structure/_graph_io.py +713 -0
- synkit/CRN/Structure/_matrices.py +88 -0
- synkit/CRN/Structure/_parse.py +544 -0
- synkit/CRN/Structure/reaction.py +237 -0
- synkit/CRN/Structure/rule.py +55 -0
- synkit/CRN/Structure/species.py +46 -0
- synkit/CRN/Structure/syncrn.py +929 -0
- synkit/CRN/Symmetry/__init__.py +20 -0
- synkit/CRN/Symmetry/_common.py +1059 -0
- synkit/CRN/Symmetry/_ir.py +940 -0
- synkit/CRN/Symmetry/automorphism.py +472 -0
- synkit/CRN/Symmetry/canon.py +441 -0
- synkit/CRN/Symmetry/isomorphism.py +412 -0
- synkit/CRN/Symmetry/symmetry.py +61 -0
- synkit/CRN/Symmetry/wl_canon.py +967 -0
- synkit/CRN/Visualize/__init__.py +11 -0
- synkit/CRN/Visualize/labels.py +113 -0
- synkit/CRN/Visualize/layout.py +708 -0
- synkit/CRN/Visualize/palette.py +292 -0
- synkit/CRN/Visualize/validation.py +122 -0
- synkit/CRN/Visualize/vis.py +1152 -0
- synkit/CRN/__init__.py +233 -0
- synkit/CRN/_build.py +50 -0
- synkit/CRN/_native_build.py +175 -0
- synkit/CRN/analysis.py +629 -0
- synkit/CRN/backend.py +74 -0
- synkit/CRN/cpp/CMakeLists.txt +58 -0
- synkit/CRN/cpp/algebra.cpp +46 -0
- synkit/CRN/cpp/closure.cpp +29 -0
- synkit/CRN/cpp/exact.h +55 -0
- synkit/CRN/cpp/pathway.cpp +46 -0
- synkit/CRN/cpp/semiflows.cpp +209 -0
- synkit/CRN/cpp/structural.cpp +240 -0
- synkit/CRN/cpp/symmetry.cpp +45 -0
- synkit/CRN/cpp/write_manifest.cmake +28 -0
- synkit/CRN/kinds.py +137 -0
- synkit/CRN/lib/synkit_crn.dll +0 -0
- synkit/CRN/lib/synkit_crn.json +33 -0
- synkit/CRN/native.py +388 -0
- synkit/CRN/native_analysis.py +459 -0
- synkit/Chem/Cluster/__init__.py +0 -0
- synkit/Chem/Cluster/butina.py +140 -0
- synkit/Chem/Fingerprint/__init__.py +0 -0
- synkit/Chem/Fingerprint/fp_calculator.py +155 -0
- synkit/Chem/Fingerprint/smiles_featurizer.py +258 -0
- synkit/Chem/Fingerprint/transformation_fp.py +139 -0
- synkit/Chem/Mapper/README.rst +43 -0
- synkit/Chem/Mapper/__init__.py +255 -0
- synkit/Chem/Mapper/_compat.py +130 -0
- synkit/Chem/Mapper/adapters/__init__.py +1 -0
- synkit/Chem/Mapper/adapters/prediction.py +126 -0
- synkit/Chem/Mapper/adapters/template.py +412 -0
- synkit/Chem/Mapper/chem/__init__.py +52 -0
- synkit/Chem/Mapper/chem/aam.py +673 -0
- synkit/Chem/Mapper/chem/blind.py +160 -0
- synkit/Chem/Mapper/chem/its.py +309 -0
- synkit/Chem/Mapper/chem/smiles.py +564 -0
- synkit/Chem/Mapper/graph/__init__.py +66 -0
- synkit/Chem/Mapper/graph/automorphism.py +395 -0
- synkit/Chem/Mapper/graph/blockcut.py +98 -0
- synkit/Chem/Mapper/graph/labeled_graph.py +104 -0
- synkit/Chem/Mapper/graph/refine.py +176 -0
- synkit/Chem/Mapper/graph/synkit_adapter.py +110 -0
- synkit/Chem/Mapper/io/__init__.py +13 -0
- synkit/Chem/Mapper/io/idxmapstr.py +82 -0
- synkit/Chem/Mapper/mapper.py +685 -0
- synkit/Chem/Mapper/reaction_search.py +554 -0
- synkit/Chem/Mapper/reporting/__init__.py +1 -0
- synkit/Chem/Mapper/reporting/alternatives.py +451 -0
- synkit/Chem/Mapper/reporting/analysis.py +681 -0
- synkit/Chem/Mapper/reporting/native_analysis.py +485 -0
- synkit/Chem/Mapper/reporting/spectrum.py +642 -0
- synkit/Chem/Mapper/solvers/__init__.py +1 -0
- synkit/Chem/Mapper/solvers/exact/__init__.py +141 -0
- synkit/Chem/Mapper/solvers/exact/assignment/__init__.py +1 -0
- synkit/Chem/Mapper/solvers/exact/assignment/assignment_certificate.py +113 -0
- synkit/Chem/Mapper/solvers/exact/assignment/assignment_domains.py +162 -0
- synkit/Chem/Mapper/solvers/exact/assignment/assignment_verification.py +58 -0
- synkit/Chem/Mapper/solvers/exact/assignment/incremental_assignment.py +247 -0
- synkit/Chem/Mapper/solvers/exact/certificate.py +128 -0
- synkit/Chem/Mapper/solvers/exact/core.py +183 -0
- synkit/Chem/Mapper/solvers/exact/distance_search/__init__.py +1 -0
- synkit/Chem/Mapper/solvers/exact/distance_search/bounds.py +319 -0
- synkit/Chem/Mapper/solvers/exact/distance_search/exhaustive.py +179 -0
- synkit/Chem/Mapper/solvers/exact/distance_search/inputs.py +283 -0
- synkit/Chem/Mapper/solvers/exact/distance_search/records.py +242 -0
- synkit/Chem/Mapper/solvers/exact/distance_search/search.py +1025 -0
- synkit/Chem/Mapper/solvers/exact/distance_search/verify.py +378 -0
- synkit/Chem/Mapper/solvers/exact/edit_support.py +375 -0
- synkit/Chem/Mapper/solvers/exact/hybrid.py +224 -0
- synkit/Chem/Mapper/solvers/exact/hydrogen.py +264 -0
- synkit/Chem/Mapper/solvers/exact/kernel_solvers/__init__.py +1 -0
- synkit/Chem/Mapper/solvers/exact/kernel_solvers/branching.py +499 -0
- synkit/Chem/Mapper/solvers/exact/kernel_solvers/enumerate.py +1050 -0
- synkit/Chem/Mapper/solvers/exact/kernel_solvers/enumeration_result.py +30 -0
- synkit/Chem/Mapper/solvers/exact/kernel_solvers/kernel.py +256 -0
- synkit/Chem/Mapper/solvers/exact/kernel_solvers/milp.py +194 -0
- synkit/Chem/Mapper/solvers/exact/native/__init__.py +1 -0
- synkit/Chem/Mapper/solvers/exact/native/build.py +154 -0
- synkit/Chem/Mapper/solvers/exact/native/candidates.py +593 -0
- synkit/Chem/Mapper/solvers/exact/native/canonical.py +396 -0
- synkit/Chem/Mapper/solvers/exact/native/disk_frontier.py +415 -0
- synkit/Chem/Mapper/solvers/exact/native/frontier.py +390 -0
- synkit/Chem/Mapper/solvers/exact/native/hydrogen_quotient.py +213 -0
- synkit/Chem/Mapper/solvers/exact/native/its.py +528 -0
- synkit/Chem/Mapper/solvers/exact/native/native_distance.cpp +2803 -0
- synkit/Chem/Mapper/solvers/exact/native/orbit_aggregation.py +328 -0
- synkit/Chem/Mapper/solvers/exact/native/parallel.py +205 -0
- synkit/Chem/Mapper/solvers/exact/native/pmcd.py +203 -0
- synkit/Chem/Mapper/solvers/exact/native/runtime.py +40 -0
- synkit/Chem/Mapper/solvers/exact/native/search.py +294 -0
- synkit/Chem/Mapper/solvers/exact/native/separator.py +224 -0
- synkit/Chem/Mapper/solvers/exact/native_build.py +12 -0
- synkit/Chem/Mapper/solvers/exact/pabs/__init__.py +1 -0
- synkit/Chem/Mapper/solvers/exact/pabs/cost_lattice.py +43 -0
- synkit/Chem/Mapper/solvers/exact/pabs/factor_spectrum.py +110 -0
- synkit/Chem/Mapper/solvers/exact/pabs/multi_shell.py +368 -0
- synkit/Chem/Mapper/solvers/exact/pabs/propagation.py +679 -0
- synkit/Chem/Mapper/solvers/exact/pabs/propagation_bounds.py +436 -0
- synkit/Chem/Mapper/solvers/exact/pabs/propagation_limits.py +13 -0
- synkit/Chem/Mapper/solvers/exact/pabs/propagation_search.py +856 -0
- synkit/Chem/Mapper/solvers/exact/pabs/propagation_symmetry.py +66 -0
- synkit/Chem/Mapper/solvers/exact/pabs/residual_typed_bonds.py +136 -0
- synkit/Chem/Mapper/solvers/exact/pabs/reward_frontier.py +201 -0
- synkit/Chem/Mapper/solvers/exact/pabs/separator_bound.py +258 -0
- synkit/Chem/Mapper/solvers/exact/pabs/separator_spectrum.py +308 -0
- synkit/Chem/Mapper/solvers/exact/pabs/sparse_reward_bound.py +207 -0
- synkit/Chem/Mapper/solvers/exact/pabs/suffix_spectrum.py +299 -0
- synkit/Chem/Mapper/solvers/exact/search.py +55 -0
- synkit/Chem/Mapper/solvers/exact/seeds/__init__.py +1 -0
- synkit/Chem/Mapper/solvers/exact/seeds/seed.py +104 -0
- synkit/Chem/Mapper/solvers/exact/seeds/seed_fragments.py +148 -0
- synkit/Chem/Mapper/solvers/exact/seeds/seed_relaxation.py +181 -0
- synkit/Chem/Mapper/solvers/exact/symmetry.py +223 -0
- synkit/Chem/Mapper/solvers/native/__init__.py +4 -0
- synkit/Chem/Mapper/solvers/native/assignment.py +99 -0
- synkit/Chem/Mapper/solvers/native/astar.py +22 -0
- synkit/Chem/Mapper/solvers/native/build.py +385 -0
- synkit/Chem/Mapper/solvers/native/classification.py +641 -0
- synkit/Chem/Mapper/solvers/native/core.py +378 -0
- synkit/Chem/Mapper/solvers/native/cpp/CMakeLists.txt +120 -0
- synkit/Chem/Mapper/solvers/native/cpp/examples/map_reaction.cpp +29 -0
- synkit/Chem/Mapper/solvers/native/cpp/examples/slap_graph.cpp +63 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/assignment/assignment.h +18 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/astar/astar.h +18 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/astar/bound.h +33 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/core/pmcd_witness.h +16 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/core/runtime.h +130 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/hydrogen/hydrogen.h +73 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/mapper.h +175 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/mces/mces.h +9 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/pabs/seed.h +34 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/reaction/reaction.h +30 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/sepdp/sepdp.h +21 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/slap.h +72 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/solvers/solvers.h +16 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/symmetry/classification.h +140 -0
- synkit/Chem/Mapper/solvers/native/cpp/include/synkit_mapper/symmetry/cpabs.h +33 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/assignment/abb.cpp +302 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/astar/CMakeLists.txt +12 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/astar/README.md +47 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/astar/astar.cpp +228 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/astar/astar_graph.cpp +37 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/astar/bound.cpp +212 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/core/dispatch.cpp +272 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/core/pmcd_witness.cpp +36 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/hydrogen/hydrogen.cpp +380 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/mces/README.md +57 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/mces/mces.cpp +287 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/bridge.cpp +334 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/chemical_floor.inc +181 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/endpoint_symmetry.inc +104 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/exact_helpers.h +20 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_assignment_certificate.h +165 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_certificate.h +125 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_model.h +365 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_provider.inc +319 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_rounding.inc +170 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/lp_test_hooks.h +342 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/objective_reduction.inc +137 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/overlap_dual.inc +351 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/profile_seed.inc +214 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/seed_heuristics.inc +640 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/sparse_embedding.cpp +430 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/sparse_root_lp.h +176 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/pabs/test_hooks.inc +262 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/reaction/reaction.cpp +611 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/sepdp/README.md +61 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/sepdp/sepdp.cpp +253 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/slap.cpp +810 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/solvers/formulation.h +138 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/solvers/maxsat.cpp +526 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/solvers/ortools.cpp +475 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/solvers/seed.h +80 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/solvers/weighted_cnf.h +256 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/supporting/README.md +43 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/supporting/dfs.cpp +123 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/supporting/edit_support.cpp +224 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/classification.cpp +553 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/classification_pipeline.cpp +124 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/classification_stream.h +13 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/cpabs.cpp +455 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/edge_deck.cpp +743 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/COPYRIGHT +44 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/LICENSE-2.0.txt +202 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naugraph.c +732 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naurng.c +94 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naurng.h +49 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nausparse.c +1771 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nausparse.h +133 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nautil.c +750 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/naututil.h +355 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nauty.c +1256 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/nauty.h +1544 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/schreier.c +1131 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/schreier.h +70 -0
- synkit/Chem/Mapper/solvers/native/cpp/src/symmetry/vendor/nauty/sorttemplates.c +580 -0
- synkit/Chem/Mapper/solvers/native/hydrogen.py +711 -0
- synkit/Chem/Mapper/solvers/native/implicit.py +506 -0
- synkit/Chem/Mapper/solvers/native/implicit_certificate.py +187 -0
- synkit/Chem/Mapper/solvers/native/implicit_preparation.py +309 -0
- synkit/Chem/Mapper/solvers/native/lib/synkit_mapper.dll +0 -0
- synkit/Chem/Mapper/solvers/native/mces.py +16 -0
- synkit/Chem/Mapper/solvers/native/reaction.py +179 -0
- synkit/Chem/Mapper/solvers/native/reaction_build.py +277 -0
- synkit/Chem/Mapper/solvers/native/reaction_text.py +26 -0
- synkit/Chem/Mapper/solvers/native/runtime.py +242 -0
- synkit/Chem/Mapper/solvers/native/sepdp.py +47 -0
- synkit/Chem/Mapper/solvers/native/slap.py +266 -0
- synkit/Chem/Mapper/solvers/native/solvers.py +67 -0
- synkit/Chem/Mapper/solvers/native/stereo.py +86 -0
- synkit/Chem/Mapper/solvers/native/supporting.py +34 -0
- synkit/Chem/Mapper/solvers/native/symmetry.py +91 -0
- synkit/Chem/Mapper/solvers/slap/__init__.py +29 -0
- synkit/Chem/Mapper/solvers/slap/lap.py +174 -0
- synkit/Chem/Mapper/solvers/slap/sequential.py +696 -0
- synkit/Chem/Mapper/validation/__init__.py +1 -0
- synkit/Chem/Mapper/validation/aam_validator.py +442 -0
- synkit/Chem/Mapper/validation/annotations.py +274 -0
- synkit/Chem/Mapper/validation/bonds.py +124 -0
- synkit/Chem/Mapper/validation/cohorts.py +72 -0
- synkit/Chem/Mapper/validation/identifiability.py +150 -0
- synkit/Chem/Mapper/validation/numerical_scope.py +36 -0
- synkit/Chem/Mapper/validation/orbits.py +137 -0
- synkit/Chem/Molecule/__init__.py +0 -0
- synkit/Chem/Molecule/_chirality_loci.py +165 -0
- synkit/Chem/Molecule/_chirality_types.py +231 -0
- synkit/Chem/Molecule/_helical_loci.py +167 -0
- synkit/Chem/Molecule/_stereo_axis_evidence.py +202 -0
- synkit/Chem/Molecule/_stereo_element_detection.py +193 -0
- synkit/Chem/Molecule/_stereo_orientation_constraints.py +511 -0
- synkit/Chem/Molecule/_tetrahedral_carriers.py +63 -0
- synkit/Chem/Molecule/atom_features.py +379 -0
- synkit/Chem/Molecule/chirality.py +1041 -0
- synkit/Chem/Molecule/cip_assignment.py +569 -0
- synkit/Chem/Molecule/cip_ranking.py +843 -0
- synkit/Chem/Molecule/coordinate_stereo.py +503 -0
- synkit/Chem/Molecule/derived_stereo_naming.py +165 -0
- synkit/Chem/Molecule/descriptors.py +452 -0
- synkit/Chem/Molecule/formula.py +249 -0
- synkit/Chem/Molecule/global_stereo.py +175 -0
- synkit/Chem/Molecule/graph_annotator.py +300 -0
- synkit/Chem/Molecule/standardize.py +817 -0
- synkit/Chem/Molecule/stereo_evidence.py +179 -0
- synkit/Chem/Molecule/stereo_perception.py +1032 -0
- synkit/Chem/Molecule/valence.py +123 -0
- synkit/Chem/Reaction/Mapper/__init__.py +44 -0
- synkit/Chem/Reaction/__init__.py +20 -0
- synkit/Chem/Reaction/aam_validator.py +5 -0
- synkit/Chem/Reaction/balance_check.py +138 -0
- synkit/Chem/Reaction/canon_rsmi.py +249 -0
- synkit/Chem/Reaction/cleaning.py +58 -0
- synkit/Chem/Reaction/deionize.py +199 -0
- synkit/Chem/Reaction/explicit_h_audit.py +232 -0
- synkit/Chem/Reaction/fix_aam.py +64 -0
- synkit/Chem/Reaction/neutralize.py +207 -0
- synkit/Chem/Reaction/radical_wildcard.py +224 -0
- synkit/Chem/Reaction/standardize.py +203 -0
- synkit/Chem/Reaction/tautomerize.py +205 -0
- synkit/Chem/__init__.py +1 -0
- synkit/Chem/utils.py +315 -0
- synkit/Data/__init__.py +0 -0
- synkit/Data/aldol.json.gz +1 -0
- synkit/Data/gen_partial_aam.py +147 -0
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- synkit/Graph/Wildcard/wildcard.py +225 -0
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- synkit/Graph/canon_graph.py +14 -0
- synkit/Graph/syn_graph.py +199 -0
- synkit/Graph/utils.py +324 -0
- synkit/IO/__init__.py +4 -0
- synkit/IO/chem_converter.py +1059 -0
- synkit/IO/combinatorial/__init__.py +8 -0
- synkit/IO/combinatorial/gml_to_graph.py +223 -0
- synkit/IO/combinatorial/graph_to_gml.py +280 -0
- synkit/IO/combinatorial/graph_to_smarts.py +186 -0
- synkit/IO/combinatorial/smarts_expander.py +147 -0
- synkit/IO/combinatorial/smarts_generalizer.py +133 -0
- synkit/IO/combinatorial/smarts_to_graph.py +179 -0
- synkit/IO/conversion.py +42 -0
- synkit/IO/data_io.py +269 -0
- synkit/IO/data_process.py +143 -0
- synkit/IO/debug.py +73 -0
- synkit/IO/gml_to_nx.py +150 -0
- synkit/IO/graph_to_mol.py +199 -0
- synkit/IO/mol_to_graph.py +1105 -0
- synkit/IO/mol_to_graph_chemistry.py +545 -0
- synkit/IO/nx_to_gml.py +209 -0
- synkit/IO/smiles_to_id.py +123 -0
- synkit/Mechanism/__init__.py +151 -0
- synkit/Mechanism/adapters.py +136 -0
- synkit/Mechanism/audit.py +323 -0
- synkit/Mechanism/benchmark.py +638 -0
- synkit/Mechanism/compatibility.py +13 -0
- synkit/Mechanism/drawing.py +85 -0
- synkit/Mechanism/electron_models.py +725 -0
- synkit/Mechanism/equivalence.py +521 -0
- synkit/Mechanism/evidence.py +262 -0
- synkit/Mechanism/interchange.py +141 -0
- synkit/Mechanism/model.py +918 -0
- synkit/Mechanism/neighbor_stereo.py +312 -0
- synkit/Mechanism/radical_data.py +740 -0
- synkit/Mechanism/replay.py +986 -0
- synkit/Mechanism/schema.py +264 -0
- synkit/Mechanism/stereo_state.py +416 -0
- synkit/Mechanism/symbols.py +91 -0
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- synkit/Rule/Apply/conditions.py +45 -0
- synkit/Rule/Apply/dpo.py +998 -0
- synkit/Rule/Apply/rule_matcher.py +218 -0
- synkit/Rule/Apply/validation.py +354 -0
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- synkit/Rule/Compose/composition.py +976 -0
- synkit/Rule/Compose/laws.py +439 -0
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- synkit/Rule/Compose/synrule.py +170 -0
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- synkit/Rule/Modify/implict_rule.py +56 -0
- synkit/Rule/Modify/longest_path.py +92 -0
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- synkit/Rule/Modify/rule_utils.py +194 -0
- synkit/Rule/Modify/strip_rule.py +97 -0
- synkit/Rule/__init__.py +28 -0
- synkit/Rule/generic_stereo.py +884 -0
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"""Validation and certificate helpers for stereo-aware graph morphisms."""
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from __future__ import annotations
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import networkx as nx
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from synkit.Graph.Stereo.descriptors import StereoValue, parse_virtual_reference
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StereoReferenceResolver,
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mapped_reference_resolver,
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stereo_registry_layers,
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StereoSpecification,
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from .constraints import EndpointSide, WildcardConstraint, WildcardRole
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StereoCertificateStatus,
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{"tetrahedral", "square_planar", "trigonal_bipyramidal", "octahedral"}
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|
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91
|
+
return EndpointSide.REACTANT
|
|
92
|
+
if layer == "product":
|
|
93
|
+
return EndpointSide.PRODUCT
|
|
94
|
+
projection = None if graph is None else graph.graph.get("stereo_projection")
|
|
95
|
+
if projection == "reactant":
|
|
96
|
+
return EndpointSide.REACTANT
|
|
97
|
+
if projection == "product":
|
|
98
|
+
return EndpointSide.PRODUCT
|
|
99
|
+
return EndpointSide.ANY
|
|
100
|
+
|
|
101
|
+
|
|
102
|
+
def _target_virtual_kind(
|
|
103
|
+
graph: nx.Graph,
|
|
104
|
+
target_node: Hashable,
|
|
105
|
+
layer: str,
|
|
106
|
+
) -> str | None:
|
|
107
|
+
element = _layer_value(graph.nodes[target_node].get("element"), layer)
|
|
108
|
+
if element == "H":
|
|
109
|
+
return "H"
|
|
110
|
+
if element in {"LP", "Lp", "lp"}:
|
|
111
|
+
return "LP"
|
|
112
|
+
return None
|
|
113
|
+
|
|
114
|
+
|
|
115
|
+
def _port_concrete_state(
|
|
116
|
+
constraint: WildcardConstraint,
|
|
117
|
+
target_graph: nx.Graph,
|
|
118
|
+
target_node: Hashable,
|
|
119
|
+
target_owner: Hashable,
|
|
120
|
+
layer: str,
|
|
121
|
+
side: EndpointSide,
|
|
122
|
+
) -> dict[str, Any]:
|
|
123
|
+
attrs = target_graph.nodes[target_node]
|
|
124
|
+
virtual_kind = _target_virtual_kind(target_graph, target_node, layer)
|
|
125
|
+
concrete = {
|
|
126
|
+
"element": _layer_value(attrs.get("element"), layer),
|
|
127
|
+
"charge": _layer_value(attrs.get("charge", 0), layer),
|
|
128
|
+
"radical": _layer_value(attrs.get("radical", 0), layer),
|
|
129
|
+
"owner": constraint.owner,
|
|
130
|
+
"side": side.value,
|
|
131
|
+
"stereo_slot": constraint.stereo_slot,
|
|
132
|
+
"virtual_kind": virtual_kind,
|
|
133
|
+
"mapped_identity": _layer_value(attrs.get("atom_map", target_node), layer),
|
|
134
|
+
"materialization": attrs.get(
|
|
135
|
+
"materialization",
|
|
136
|
+
"virtual" if virtual_kind is not None else "concrete",
|
|
137
|
+
),
|
|
138
|
+
"capacity": 1,
|
|
139
|
+
"resource_usage": 1,
|
|
140
|
+
}
|
|
141
|
+
if target_graph.has_edge(target_owner, target_node):
|
|
142
|
+
edge = target_graph.edges[target_owner, target_node]
|
|
143
|
+
concrete["bond_order"] = _layer_value(edge.get("order"), layer)
|
|
144
|
+
return concrete
|
|
145
|
+
|
|
146
|
+
|
|
147
|
+
def _descriptor_port_bindings(
|
|
148
|
+
source_graph: nx.Graph,
|
|
149
|
+
source_node: Hashable,
|
|
150
|
+
) -> list[tuple[str, str, Hashable, int]]:
|
|
151
|
+
"""Return ``(layer, descriptor key, owner node, owner-local slot)`` values."""
|
|
152
|
+
bindings: list[tuple[str, str, Hashable, int]] = []
|
|
153
|
+
for layer, registry in sorted(stereo_registry_layers(source_graph).items()):
|
|
154
|
+
resolver = _morphism_reference_resolver(source_graph, layer)
|
|
155
|
+
for key, descriptor in sorted(registry.items(), key=lambda item: str(item[0])):
|
|
156
|
+
configuration = _resolved_configuration(
|
|
157
|
+
descriptor,
|
|
158
|
+
resolver,
|
|
159
|
+
source_graph,
|
|
160
|
+
layer,
|
|
161
|
+
)
|
|
162
|
+
binding = _configuration_port_binding(configuration, source_node)
|
|
163
|
+
if binding is not None:
|
|
164
|
+
owner_node, slot = binding
|
|
165
|
+
bindings.append((layer, str(key), owner_node, slot))
|
|
166
|
+
return bindings
|
|
167
|
+
|
|
168
|
+
|
|
169
|
+
def _port_materialization_issue(
|
|
170
|
+
constraint: WildcardConstraint,
|
|
171
|
+
source_graph: nx.Graph,
|
|
172
|
+
target_graph: nx.Graph,
|
|
173
|
+
target_node: Hashable,
|
|
174
|
+
target_owner: Hashable,
|
|
175
|
+
layer: str,
|
|
176
|
+
context: Mapping[str, Any],
|
|
177
|
+
) -> StereoMorphismIssue | None:
|
|
178
|
+
concrete = _port_concrete_state(
|
|
179
|
+
constraint,
|
|
180
|
+
target_graph,
|
|
181
|
+
target_node,
|
|
182
|
+
target_owner,
|
|
183
|
+
layer,
|
|
184
|
+
_endpoint_side(layer, source_graph),
|
|
185
|
+
)
|
|
186
|
+
if constraint.virtual_kind is not None and (
|
|
187
|
+
concrete["virtual_kind"] != constraint.virtual_kind
|
|
188
|
+
):
|
|
189
|
+
return StereoMorphismIssue(
|
|
190
|
+
StereoMorphismIssueCode.PORT_VIRTUAL_KIND_MISMATCH,
|
|
191
|
+
"A stereo ligand port materialized as the wrong virtual kind.",
|
|
192
|
+
context,
|
|
193
|
+
)
|
|
194
|
+
if constraint.capacity < 1 or (
|
|
195
|
+
constraint.resource_budget is not None and constraint.resource_budget < 1
|
|
196
|
+
):
|
|
197
|
+
return StereoMorphismIssue(
|
|
198
|
+
StereoMorphismIssueCode.PORT_CAPACITY_MISMATCH,
|
|
199
|
+
"A stereo ligand port has no capacity for its mapped ligand.",
|
|
200
|
+
context,
|
|
201
|
+
)
|
|
202
|
+
if not constraint.satisfies(concrete):
|
|
203
|
+
return StereoMorphismIssue(
|
|
204
|
+
StereoMorphismIssueCode.PORT_DOMAIN_MISMATCH,
|
|
205
|
+
"A mapped stereo ligand does not satisfy its typed constraint.",
|
|
206
|
+
context,
|
|
207
|
+
)
|
|
208
|
+
return None
|
|
209
|
+
|
|
210
|
+
|
|
211
|
+
def _validate_stereo_port_bindings(
|
|
212
|
+
graph_morphism: GraphMorphism,
|
|
213
|
+
source_graph: nx.Graph,
|
|
214
|
+
target_graph: nx.Graph,
|
|
215
|
+
) -> None:
|
|
216
|
+
"""Validate typed stereo ports against owner-local ordered frames."""
|
|
217
|
+
issues: list[StereoMorphismIssue] = []
|
|
218
|
+
mapping = graph_morphism.mapping
|
|
219
|
+
for source_node, constraint in graph_morphism.substitutions.items():
|
|
220
|
+
bindings = _descriptor_port_bindings(source_graph, source_node)
|
|
221
|
+
if not bindings:
|
|
222
|
+
if constraint.role is WildcardRole.STEREO_LIGAND_PORT:
|
|
223
|
+
issues.append(
|
|
224
|
+
StereoMorphismIssue(
|
|
225
|
+
StereoMorphismIssueCode.PORT_BINDING_MISSING,
|
|
226
|
+
"A typed stereo ligand port is absent from every source frame.",
|
|
227
|
+
{"source_node": repr(source_node)},
|
|
228
|
+
)
|
|
229
|
+
)
|
|
230
|
+
continue
|
|
231
|
+
if constraint.role is not WildcardRole.STEREO_LIGAND_PORT:
|
|
232
|
+
issues.append(
|
|
233
|
+
StereoMorphismIssue(
|
|
234
|
+
StereoMorphismIssueCode.PORT_ROLE_MISMATCH,
|
|
235
|
+
"A wildcard used as a stereo ligand must declare the stereo-ligand-port role.",
|
|
236
|
+
{
|
|
237
|
+
"source_node": repr(source_node),
|
|
238
|
+
"role": constraint.role.value,
|
|
239
|
+
},
|
|
240
|
+
)
|
|
241
|
+
)
|
|
242
|
+
continue
|
|
243
|
+
if len(bindings) != 1:
|
|
244
|
+
issues.append(
|
|
245
|
+
StereoMorphismIssue(
|
|
246
|
+
StereoMorphismIssueCode.PORT_BINDING_AMBIGUOUS,
|
|
247
|
+
"A stereo ligand port must bind exactly one descriptor slot.",
|
|
248
|
+
{"source_node": repr(source_node), "bindings": len(bindings)},
|
|
249
|
+
)
|
|
250
|
+
)
|
|
251
|
+
continue
|
|
252
|
+
layer, descriptor_key, source_owner, slot = bindings[0]
|
|
253
|
+
source_element = _layer_value(
|
|
254
|
+
source_graph.nodes[source_node].get("element"),
|
|
255
|
+
layer,
|
|
256
|
+
)
|
|
257
|
+
declared_owner = _owner_node(
|
|
258
|
+
constraint.owner, # type: ignore[arg-type]
|
|
259
|
+
_morphism_reference_resolver(source_graph, layer),
|
|
260
|
+
source_graph,
|
|
261
|
+
)
|
|
262
|
+
context = {
|
|
263
|
+
"source_node": repr(source_node),
|
|
264
|
+
"layer": layer,
|
|
265
|
+
"descriptor": descriptor_key,
|
|
266
|
+
"owner": repr(source_owner),
|
|
267
|
+
"slot": slot,
|
|
268
|
+
}
|
|
269
|
+
if source_element != "*":
|
|
270
|
+
issues.append(
|
|
271
|
+
StereoMorphismIssue(
|
|
272
|
+
StereoMorphismIssueCode.PORT_SOURCE_NOT_WILDCARD,
|
|
273
|
+
"A typed stereo ligand port must originate at a wildcard node.",
|
|
274
|
+
context,
|
|
275
|
+
)
|
|
276
|
+
)
|
|
277
|
+
continue
|
|
278
|
+
if declared_owner != source_owner:
|
|
279
|
+
issues.append(
|
|
280
|
+
StereoMorphismIssue(
|
|
281
|
+
StereoMorphismIssueCode.PORT_OWNER_MISMATCH,
|
|
282
|
+
"A stereo ligand port declares the wrong descriptor owner.",
|
|
283
|
+
context,
|
|
284
|
+
)
|
|
285
|
+
)
|
|
286
|
+
continue
|
|
287
|
+
if constraint.stereo_slot != slot:
|
|
288
|
+
issues.append(
|
|
289
|
+
StereoMorphismIssue(
|
|
290
|
+
StereoMorphismIssueCode.PORT_SLOT_MISMATCH,
|
|
291
|
+
"A stereo ligand port declares the wrong owner-local frame slot.",
|
|
292
|
+
context,
|
|
293
|
+
)
|
|
294
|
+
)
|
|
295
|
+
continue
|
|
296
|
+
target_node = mapping[source_node]
|
|
297
|
+
target_owner = mapping[source_owner]
|
|
298
|
+
if not source_graph.has_edge(source_owner, source_node) or (
|
|
299
|
+
not target_graph.has_edge(target_owner, target_node)
|
|
300
|
+
):
|
|
301
|
+
issues.append(
|
|
302
|
+
StereoMorphismIssue(
|
|
303
|
+
StereoMorphismIssueCode.PORT_INCIDENCE_MISMATCH,
|
|
304
|
+
"A stereo ligand port must remain incident to its mapped owner.",
|
|
305
|
+
context,
|
|
306
|
+
)
|
|
307
|
+
)
|
|
308
|
+
continue
|
|
309
|
+
materialization_issue = _port_materialization_issue(
|
|
310
|
+
constraint,
|
|
311
|
+
source_graph,
|
|
312
|
+
target_graph,
|
|
313
|
+
target_node,
|
|
314
|
+
target_owner,
|
|
315
|
+
layer,
|
|
316
|
+
context,
|
|
317
|
+
)
|
|
318
|
+
if materialization_issue is not None:
|
|
319
|
+
issues.append(materialization_issue)
|
|
320
|
+
if issues:
|
|
321
|
+
raise StereoMorphismError(*issues)
|
|
322
|
+
|
|
323
|
+
|
|
324
|
+
def _configuration_port_binding(
|
|
325
|
+
configuration: StereoConfiguration,
|
|
326
|
+
source_node: Hashable,
|
|
327
|
+
) -> tuple[Hashable, int] | None:
|
|
328
|
+
token = _node_token(source_node)
|
|
329
|
+
positions = [
|
|
330
|
+
position
|
|
331
|
+
for position, reference in enumerate(configuration.frame)
|
|
332
|
+
if reference == token
|
|
333
|
+
]
|
|
334
|
+
if len(positions) != 1:
|
|
335
|
+
return None
|
|
336
|
+
position = positions[0]
|
|
337
|
+
if configuration.shape in _ATOM_CENTERED_STEREO:
|
|
338
|
+
if position == 0:
|
|
339
|
+
return None
|
|
340
|
+
owner_token = configuration.frame[0]
|
|
341
|
+
return _material_node(owner_token), position - 1
|
|
342
|
+
if position in {0, 1}:
|
|
343
|
+
return _material_node(configuration.frame[2]), position
|
|
344
|
+
if position in {4, 5}:
|
|
345
|
+
return _material_node(configuration.frame[3]), position - 4
|
|
346
|
+
return None
|
|
347
|
+
|
|
348
|
+
|
|
349
|
+
def _validate_stored_port_bindings(
|
|
350
|
+
graph_morphism: GraphMorphism,
|
|
351
|
+
certificates: tuple[LocalStereoCertificate, ...],
|
|
352
|
+
) -> None:
|
|
353
|
+
"""Replay owner-local port bindings without retaining endpoint graphs."""
|
|
354
|
+
issues: list[StereoMorphismIssue] = []
|
|
355
|
+
for source_node, constraint in graph_morphism.substitutions.items():
|
|
356
|
+
bindings = [
|
|
357
|
+
binding
|
|
358
|
+
for certificate in certificates
|
|
359
|
+
if (
|
|
360
|
+
binding := _configuration_port_binding(
|
|
361
|
+
certificate.source_configuration,
|
|
362
|
+
source_node,
|
|
363
|
+
)
|
|
364
|
+
)
|
|
365
|
+
is not None
|
|
366
|
+
]
|
|
367
|
+
if not bindings:
|
|
368
|
+
if constraint.role is WildcardRole.STEREO_LIGAND_PORT:
|
|
369
|
+
issues.append(
|
|
370
|
+
StereoMorphismIssue(
|
|
371
|
+
StereoMorphismIssueCode.PORT_BINDING_MISSING,
|
|
372
|
+
"A stored stereo port has no certificate-local frame binding.",
|
|
373
|
+
{"source_node": repr(source_node)},
|
|
374
|
+
)
|
|
375
|
+
)
|
|
376
|
+
continue
|
|
377
|
+
if constraint.role is not WildcardRole.STEREO_LIGAND_PORT:
|
|
378
|
+
issues.append(
|
|
379
|
+
StereoMorphismIssue(
|
|
380
|
+
StereoMorphismIssueCode.PORT_ROLE_MISMATCH,
|
|
381
|
+
"A stored wildcard frame reference has a non-stereo role.",
|
|
382
|
+
{"source_node": repr(source_node)},
|
|
383
|
+
)
|
|
384
|
+
)
|
|
385
|
+
continue
|
|
386
|
+
if len(bindings) != 1:
|
|
387
|
+
issues.append(
|
|
388
|
+
StereoMorphismIssue(
|
|
389
|
+
StereoMorphismIssueCode.PORT_BINDING_AMBIGUOUS,
|
|
390
|
+
"A stored stereo port binds more than one local certificate.",
|
|
391
|
+
{"source_node": repr(source_node)},
|
|
392
|
+
)
|
|
393
|
+
)
|
|
394
|
+
continue
|
|
395
|
+
owner, slot = bindings[0]
|
|
396
|
+
if owner != constraint.owner:
|
|
397
|
+
issues.append(
|
|
398
|
+
StereoMorphismIssue(
|
|
399
|
+
StereoMorphismIssueCode.PORT_OWNER_MISMATCH,
|
|
400
|
+
"A stored stereo port owner disagrees with its local frame.",
|
|
401
|
+
{"source_node": repr(source_node)},
|
|
402
|
+
)
|
|
403
|
+
)
|
|
404
|
+
if slot != constraint.stereo_slot:
|
|
405
|
+
issues.append(
|
|
406
|
+
StereoMorphismIssue(
|
|
407
|
+
StereoMorphismIssueCode.PORT_SLOT_MISMATCH,
|
|
408
|
+
"A stored stereo port slot disagrees with its local frame.",
|
|
409
|
+
{"source_node": repr(source_node)},
|
|
410
|
+
)
|
|
411
|
+
)
|
|
412
|
+
if issues:
|
|
413
|
+
raise StereoMorphismError(*issues)
|
|
414
|
+
|
|
415
|
+
|
|
416
|
+
def _topology_supports_implicit_hydrogen(
|
|
417
|
+
descriptor: StereoValue,
|
|
418
|
+
resolver: StereoReferenceResolver,
|
|
419
|
+
graph: nx.Graph,
|
|
420
|
+
owner: int,
|
|
421
|
+
) -> bool:
|
|
422
|
+
owner_node = _material_node(resolver(owner))
|
|
423
|
+
if owner_node is None:
|
|
424
|
+
return False
|
|
425
|
+
material_count = 0
|
|
426
|
+
for reference in _owned_references(descriptor, owner):
|
|
427
|
+
if parse_virtual_reference(reference) is not None:
|
|
428
|
+
continue
|
|
429
|
+
try:
|
|
430
|
+
node = _material_node(resolver(reference))
|
|
431
|
+
except StereoIdentityError:
|
|
432
|
+
continue
|
|
433
|
+
if node is None:
|
|
434
|
+
continue
|
|
435
|
+
material_count += 1
|
|
436
|
+
if not graph.has_edge(owner_node, node):
|
|
437
|
+
return False
|
|
438
|
+
return material_count > 0
|
|
439
|
+
|
|
440
|
+
|
|
441
|
+
def _implicit_hydrogen_capacity(
|
|
442
|
+
descriptor: StereoValue,
|
|
443
|
+
resolver: StereoReferenceResolver,
|
|
444
|
+
graph: nx.Graph,
|
|
445
|
+
owner: int,
|
|
446
|
+
owner_node: Hashable,
|
|
447
|
+
layer: str,
|
|
448
|
+
) -> int:
|
|
449
|
+
hcount = _layer_value(graph.nodes[owner_node].get("hcount", 0), layer)
|
|
450
|
+
if not isinstance(hcount, (int, float)):
|
|
451
|
+
return 0
|
|
452
|
+
neighbors = _layer_value(graph.nodes[owner_node].get("neighbors", ()), layer)
|
|
453
|
+
recorded = (
|
|
454
|
+
sum(element == "H" for element in neighbors)
|
|
455
|
+
if isinstance(neighbors, (list, tuple, set))
|
|
456
|
+
else 0
|
|
457
|
+
)
|
|
458
|
+
material = sum(
|
|
459
|
+
_layer_value(graph.nodes[node].get("element"), layer) == "H"
|
|
460
|
+
for node in nx.all_neighbors(graph, owner_node)
|
|
461
|
+
)
|
|
462
|
+
stale_capacity = max(0, min(int(hcount), recorded - material))
|
|
463
|
+
topology_valid = _topology_supports_implicit_hydrogen(
|
|
464
|
+
descriptor,
|
|
465
|
+
resolver,
|
|
466
|
+
graph,
|
|
467
|
+
owner,
|
|
468
|
+
)
|
|
469
|
+
return int(hcount) if stale_capacity or topology_valid else 0
|
|
470
|
+
|
|
471
|
+
|
|
472
|
+
def _resolve_missing_hydrogen(
|
|
473
|
+
reference: Any,
|
|
474
|
+
error: StereoIdentityError,
|
|
475
|
+
descriptor: StereoValue,
|
|
476
|
+
resolver: StereoReferenceResolver,
|
|
477
|
+
graph: nx.Graph,
|
|
478
|
+
layer: str,
|
|
479
|
+
fallback_counts: dict[int, int],
|
|
480
|
+
) -> Hashable:
|
|
481
|
+
owner = _reference_owner(descriptor, reference) if type(reference) is int else None
|
|
482
|
+
if owner is None:
|
|
483
|
+
raise error
|
|
484
|
+
owner_token = resolver(owner)
|
|
485
|
+
owner_node = _material_node(owner_token)
|
|
486
|
+
if owner_node is None:
|
|
487
|
+
raise error
|
|
488
|
+
count = fallback_counts.get(owner, 0) + 1
|
|
489
|
+
capacity = _implicit_hydrogen_capacity(
|
|
490
|
+
descriptor,
|
|
491
|
+
resolver,
|
|
492
|
+
graph,
|
|
493
|
+
owner,
|
|
494
|
+
owner_node,
|
|
495
|
+
layer,
|
|
496
|
+
)
|
|
497
|
+
if count > capacity:
|
|
498
|
+
raise error
|
|
499
|
+
fallback_counts[owner] = count
|
|
500
|
+
return "virtual", "H", owner_token
|
|
501
|
+
|
|
502
|
+
|
|
503
|
+
def _project_explicit_hydrogen(
|
|
504
|
+
token: Hashable,
|
|
505
|
+
graph: nx.Graph,
|
|
506
|
+
layer: str,
|
|
507
|
+
implicit_h_owner_tokens: frozenset[Hashable],
|
|
508
|
+
) -> Hashable:
|
|
509
|
+
node = _material_node(token)
|
|
510
|
+
if node is None or graph.degree(node) != 1:
|
|
511
|
+
return token
|
|
512
|
+
if _layer_value(graph.nodes[node].get("element"), layer) != "H":
|
|
513
|
+
return token
|
|
514
|
+
owner_node = next(nx.all_neighbors(graph, node))
|
|
515
|
+
if ("node", owner_node) in implicit_h_owner_tokens:
|
|
516
|
+
return token
|
|
517
|
+
return "virtual", "H", ("node", owner_node)
|
|
518
|
+
|
|
519
|
+
|
|
520
|
+
def _resolve_configuration_reference(
|
|
521
|
+
reference: Any,
|
|
522
|
+
descriptor: StereoValue,
|
|
523
|
+
resolver: StereoReferenceResolver,
|
|
524
|
+
graph: nx.Graph,
|
|
525
|
+
layer: str,
|
|
526
|
+
implicit_h_owner_tokens: frozenset[Hashable],
|
|
527
|
+
fallback_counts: dict[int, int],
|
|
528
|
+
) -> Hashable:
|
|
529
|
+
try:
|
|
530
|
+
token = resolver(reference)
|
|
531
|
+
except StereoIdentityError as error:
|
|
532
|
+
return _resolve_missing_hydrogen(
|
|
533
|
+
reference,
|
|
534
|
+
error,
|
|
535
|
+
descriptor,
|
|
536
|
+
resolver,
|
|
537
|
+
graph,
|
|
538
|
+
layer,
|
|
539
|
+
fallback_counts,
|
|
540
|
+
)
|
|
541
|
+
return _project_explicit_hydrogen(
|
|
542
|
+
token,
|
|
543
|
+
graph,
|
|
544
|
+
layer,
|
|
545
|
+
implicit_h_owner_tokens,
|
|
546
|
+
)
|
|
547
|
+
|
|
548
|
+
|
|
549
|
+
def _resolved_configuration(
|
|
550
|
+
descriptor: StereoValue,
|
|
551
|
+
resolver: StereoReferenceResolver,
|
|
552
|
+
graph: nx.Graph,
|
|
553
|
+
layer: str,
|
|
554
|
+
) -> StereoConfiguration:
|
|
555
|
+
configuration = descriptor.configuration
|
|
556
|
+
implicit_h_owners = {
|
|
557
|
+
virtual.center
|
|
558
|
+
for reference in descriptor.atoms
|
|
559
|
+
if (virtual := parse_virtual_reference(reference)) is not None
|
|
560
|
+
and virtual.kind == "H"
|
|
561
|
+
}
|
|
562
|
+
owner_tokens = frozenset(resolver(owner) for owner in implicit_h_owners)
|
|
563
|
+
fallback_counts: dict[int, int] = {}
|
|
564
|
+
frame = tuple(
|
|
565
|
+
_resolve_configuration_reference(
|
|
566
|
+
reference,
|
|
567
|
+
descriptor,
|
|
568
|
+
resolver,
|
|
569
|
+
graph,
|
|
570
|
+
layer,
|
|
571
|
+
owner_tokens,
|
|
572
|
+
fallback_counts,
|
|
573
|
+
)
|
|
574
|
+
for reference in configuration.frame
|
|
575
|
+
)
|
|
576
|
+
return StereoConfiguration(
|
|
577
|
+
configuration.shape,
|
|
578
|
+
frame,
|
|
579
|
+
configuration.specification,
|
|
580
|
+
)
|
|
581
|
+
|
|
582
|
+
|
|
583
|
+
def _morphism_reference_resolver(
|
|
584
|
+
graph: nx.Graph,
|
|
585
|
+
layer: str,
|
|
586
|
+
) -> StereoReferenceResolver:
|
|
587
|
+
"""Return the exact endpoint-local resolver used by morphism certificates."""
|
|
588
|
+
return mapped_reference_resolver(graph, layer)
|
|
589
|
+
|
|
590
|
+
|
|
591
|
+
def _transport_token(
|
|
592
|
+
token: Hashable,
|
|
593
|
+
node_mapping: Mapping[Hashable, Hashable],
|
|
594
|
+
substitutions: Mapping[Hashable, WildcardConstraint] | None = None,
|
|
595
|
+
) -> Hashable:
|
|
596
|
+
if isinstance(token, tuple) and len(token) == 2 and token[0] == "node":
|
|
597
|
+
node = token[1]
|
|
598
|
+
if node not in node_mapping:
|
|
599
|
+
raise StereoMorphismError(
|
|
600
|
+
StereoMorphismIssue(
|
|
601
|
+
StereoMorphismIssueCode.INVALID_REFERENCE,
|
|
602
|
+
"A material stereo reference lies outside the morphism source.",
|
|
603
|
+
{"node": repr(node)},
|
|
604
|
+
)
|
|
605
|
+
)
|
|
606
|
+
constraint = (substitutions or {}).get(node)
|
|
607
|
+
if constraint is not None and constraint.virtual_kind is not None:
|
|
608
|
+
owner = constraint.owner
|
|
609
|
+
if owner not in node_mapping:
|
|
610
|
+
raise StereoMorphismError(
|
|
611
|
+
StereoMorphismIssue(
|
|
612
|
+
StereoMorphismIssueCode.PORT_OWNER_MISMATCH,
|
|
613
|
+
"A virtual stereo port owner lies outside the morphism.",
|
|
614
|
+
{"owner": repr(owner)},
|
|
615
|
+
)
|
|
616
|
+
)
|
|
617
|
+
return "virtual", constraint.virtual_kind, ("node", node_mapping[owner])
|
|
618
|
+
return "node", node_mapping[node]
|
|
619
|
+
if isinstance(token, tuple) and len(token) == 3 and token[0] == "virtual":
|
|
620
|
+
return token[0], token[1], _transport_token(token[2], node_mapping)
|
|
621
|
+
raise StereoMorphismError(
|
|
622
|
+
StereoMorphismIssue(
|
|
623
|
+
StereoMorphismIssueCode.INVALID_REFERENCE,
|
|
624
|
+
"A stereo resolver produced an unsupported reference token.",
|
|
625
|
+
{"token": repr(token)},
|
|
626
|
+
)
|
|
627
|
+
)
|
|
628
|
+
|
|
629
|
+
|
|
630
|
+
def _transport_configuration(
|
|
631
|
+
configuration: StereoConfiguration,
|
|
632
|
+
node_mapping: Mapping[Hashable, Hashable],
|
|
633
|
+
substitutions: Mapping[Hashable, WildcardConstraint] | None = None,
|
|
634
|
+
) -> StereoConfiguration:
|
|
635
|
+
return StereoConfiguration(
|
|
636
|
+
configuration.shape,
|
|
637
|
+
tuple(
|
|
638
|
+
_transport_token(token, node_mapping, substitutions)
|
|
639
|
+
for token in configuration.frame
|
|
640
|
+
),
|
|
641
|
+
configuration.specification,
|
|
642
|
+
)
|
|
643
|
+
|
|
644
|
+
|
|
645
|
+
def _descriptor_alternative(
|
|
646
|
+
descriptor: StereoValue,
|
|
647
|
+
resolver: StereoReferenceResolver,
|
|
648
|
+
graph: nx.Graph,
|
|
649
|
+
layer: str,
|
|
650
|
+
) -> StereoConfiguration:
|
|
651
|
+
return _resolved_configuration(descriptor.invert(), resolver, graph, layer)
|
|
652
|
+
|
|
653
|
+
|
|
654
|
+
def _information_accepts(
|
|
655
|
+
descriptor: StereoValue,
|
|
656
|
+
source: StereoConfiguration,
|
|
657
|
+
transported_source: StereoConfiguration,
|
|
658
|
+
target: StereoConfiguration,
|
|
659
|
+
resolver: StereoReferenceResolver,
|
|
660
|
+
source_graph: nx.Graph,
|
|
661
|
+
layer: str,
|
|
662
|
+
node_mapping: Mapping[Hashable, Hashable],
|
|
663
|
+
substitutions: Mapping[Hashable, WildcardConstraint],
|
|
664
|
+
policy: StereoInformationPolicy,
|
|
665
|
+
) -> bool:
|
|
666
|
+
if policy is StereoInformationPolicy.EXACT:
|
|
667
|
+
return transported_source.same_configuration(target)
|
|
668
|
+
if source.specification is StereoSpecification.UNSPECIFIED:
|
|
669
|
+
projected_target = StereoConfiguration(
|
|
670
|
+
target.shape,
|
|
671
|
+
target.frame,
|
|
672
|
+
StereoSpecification.UNSPECIFIED,
|
|
673
|
+
)
|
|
674
|
+
return transported_source.same_configuration(projected_target)
|
|
675
|
+
if policy is StereoInformationPolicy.WILDCARD:
|
|
676
|
+
return transported_source.same_configuration(target)
|
|
677
|
+
alternative = _transport_configuration(
|
|
678
|
+
_descriptor_alternative(descriptor, resolver, source_graph, layer),
|
|
679
|
+
node_mapping,
|
|
680
|
+
substitutions,
|
|
681
|
+
)
|
|
682
|
+
return transported_source.same_configuration(target) or (
|
|
683
|
+
alternative.same_configuration(target)
|
|
684
|
+
)
|
|
685
|
+
|
|
686
|
+
|
|
687
|
+
def _matched_certificate(
|
|
688
|
+
layer: str,
|
|
689
|
+
source: StereoConfiguration,
|
|
690
|
+
target: StereoConfiguration,
|
|
691
|
+
graph_morphism: GraphMorphism,
|
|
692
|
+
policy: StereoInformationPolicy,
|
|
693
|
+
) -> LocalStereoCertificate:
|
|
694
|
+
transported = _transport_configuration(
|
|
695
|
+
source,
|
|
696
|
+
graph_morphism.mapping,
|
|
697
|
+
graph_morphism.substitutions,
|
|
698
|
+
)
|
|
699
|
+
relation = transported.relation_to(target)
|
|
700
|
+
if relation.witness is None:
|
|
701
|
+
raise StereoMorphismError(
|
|
702
|
+
StereoMorphismIssue(
|
|
703
|
+
StereoMorphismIssueCode.INVALID_CERTIFICATE,
|
|
704
|
+
"Matched stereo configurations lack a replayable relation witness.",
|
|
705
|
+
{"layer": layer, "shape": source.shape},
|
|
706
|
+
)
|
|
707
|
+
)
|
|
708
|
+
return LocalStereoCertificate(
|
|
709
|
+
layer,
|
|
710
|
+
source,
|
|
711
|
+
target,
|
|
712
|
+
relation,
|
|
713
|
+
relation.witness,
|
|
714
|
+
StereoCertificateStatus.MATCHED,
|
|
715
|
+
policy,
|
|
716
|
+
)
|
|
717
|
+
|
|
718
|
+
|
|
719
|
+
def _frame_profile(
|
|
720
|
+
configuration: StereoConfiguration,
|
|
721
|
+
wildcard_nodes: frozenset[Hashable],
|
|
722
|
+
) -> tuple[Any, ...]:
|
|
723
|
+
profile = []
|
|
724
|
+
for token in configuration.frame:
|
|
725
|
+
if isinstance(token, tuple) and token[0] == "virtual":
|
|
726
|
+
profile.append(("virtual", token[1]))
|
|
727
|
+
elif isinstance(token, tuple) and token[0] == "node":
|
|
728
|
+
profile.append("wildcard" if token[1] in wildcard_nodes else "material")
|
|
729
|
+
else:
|
|
730
|
+
profile.append("invalid")
|
|
731
|
+
return tuple(profile)
|
|
732
|
+
|
|
733
|
+
|
|
734
|
+
def _assign_certificates(
|
|
735
|
+
options: list[list[tuple[int, LocalStereoCertificate]]],
|
|
736
|
+
source_configurations: list[StereoConfiguration],
|
|
737
|
+
source_policies: list[StereoInformationPolicy],
|
|
738
|
+
layer: str,
|
|
739
|
+
mode: StereoPresenceMode,
|
|
740
|
+
index: int = 0,
|
|
741
|
+
used: frozenset[int] = frozenset(),
|
|
742
|
+
) -> tuple[tuple[int | None, LocalStereoCertificate], ...] | None:
|
|
743
|
+
"""Return one deterministic injective descriptor assignment."""
|
|
744
|
+
if index == len(source_configurations):
|
|
745
|
+
return ()
|
|
746
|
+
for target_index, certificate in options[index]:
|
|
747
|
+
if target_index in used:
|
|
748
|
+
continue
|
|
749
|
+
suffix = _assign_certificates(
|
|
750
|
+
options,
|
|
751
|
+
source_configurations,
|
|
752
|
+
source_policies,
|
|
753
|
+
layer,
|
|
754
|
+
mode,
|
|
755
|
+
index + 1,
|
|
756
|
+
used | {target_index},
|
|
757
|
+
)
|
|
758
|
+
if suffix is not None:
|
|
759
|
+
return ((target_index, certificate), *suffix)
|
|
760
|
+
if mode is not StereoPresenceMode.PROPAGATE:
|
|
761
|
+
return None
|
|
762
|
+
certificate = LocalStereoCertificate(
|
|
763
|
+
layer,
|
|
764
|
+
source_configurations[index],
|
|
765
|
+
None,
|
|
766
|
+
None,
|
|
767
|
+
None,
|
|
768
|
+
StereoCertificateStatus.PROPAGATE,
|
|
769
|
+
source_policies[index],
|
|
770
|
+
)
|
|
771
|
+
suffix = _assign_certificates(
|
|
772
|
+
options,
|
|
773
|
+
source_configurations,
|
|
774
|
+
source_policies,
|
|
775
|
+
layer,
|
|
776
|
+
mode,
|
|
777
|
+
index + 1,
|
|
778
|
+
used,
|
|
779
|
+
)
|
|
780
|
+
return None if suffix is None else ((None, certificate), *suffix)
|
|
781
|
+
|
|
782
|
+
|
|
783
|
+
def _layer_certificates(
|
|
784
|
+
graph_morphism: GraphMorphism,
|
|
785
|
+
source_graph: nx.Graph,
|
|
786
|
+
target_graph: nx.Graph,
|
|
787
|
+
layer: str,
|
|
788
|
+
source_registry: Mapping[str, StereoValue],
|
|
789
|
+
target_registry: Mapping[str, StereoValue],
|
|
790
|
+
mode: StereoPresenceMode,
|
|
791
|
+
default_policy: StereoInformationPolicy,
|
|
792
|
+
information_policies: Mapping[str, StereoInformationPolicy | str],
|
|
793
|
+
) -> tuple[list[LocalStereoCertificate], frozenset[int]]:
|
|
794
|
+
source_resolver = _morphism_reference_resolver(source_graph, layer)
|
|
795
|
+
target_resolver = _morphism_reference_resolver(target_graph, layer)
|
|
796
|
+
source_items = sorted(source_registry.items(), key=lambda item: str(item[0]))
|
|
797
|
+
target_items = sorted(target_registry.items(), key=lambda item: str(item[0]))
|
|
798
|
+
source_configurations = [
|
|
799
|
+
_resolved_configuration(descriptor, source_resolver, source_graph, layer)
|
|
800
|
+
for _key, descriptor in source_items
|
|
801
|
+
]
|
|
802
|
+
source_policies = [
|
|
803
|
+
StereoInformationPolicy(information_policies.get(str(key), default_policy))
|
|
804
|
+
for key, _descriptor in source_items
|
|
805
|
+
]
|
|
806
|
+
if mode is StereoPresenceMode.IGNORE:
|
|
807
|
+
return (
|
|
808
|
+
[
|
|
809
|
+
LocalStereoCertificate(
|
|
810
|
+
layer,
|
|
811
|
+
configuration,
|
|
812
|
+
None,
|
|
813
|
+
None,
|
|
814
|
+
None,
|
|
815
|
+
StereoCertificateStatus.IGNORED,
|
|
816
|
+
source_policy,
|
|
817
|
+
)
|
|
818
|
+
for configuration, source_policy in zip(
|
|
819
|
+
source_configurations,
|
|
820
|
+
source_policies,
|
|
821
|
+
)
|
|
822
|
+
],
|
|
823
|
+
frozenset(),
|
|
824
|
+
)
|
|
825
|
+
target_configurations = [
|
|
826
|
+
_resolved_configuration(descriptor, target_resolver, target_graph, layer)
|
|
827
|
+
for _key, descriptor in target_items
|
|
828
|
+
]
|
|
829
|
+
options: list[list[tuple[int, LocalStereoCertificate]]] = []
|
|
830
|
+
for (_source_key, descriptor), source_configuration, source_policy in zip(
|
|
831
|
+
source_items,
|
|
832
|
+
source_configurations,
|
|
833
|
+
source_policies,
|
|
834
|
+
):
|
|
835
|
+
transported = _transport_configuration(
|
|
836
|
+
source_configuration,
|
|
837
|
+
graph_morphism.mapping,
|
|
838
|
+
graph_morphism.substitutions,
|
|
839
|
+
)
|
|
840
|
+
descriptor_options = []
|
|
841
|
+
for target_index, target_configuration in enumerate(target_configurations):
|
|
842
|
+
if not _information_accepts(
|
|
843
|
+
descriptor,
|
|
844
|
+
source_configuration,
|
|
845
|
+
transported,
|
|
846
|
+
target_configuration,
|
|
847
|
+
source_resolver,
|
|
848
|
+
source_graph,
|
|
849
|
+
layer,
|
|
850
|
+
graph_morphism.mapping,
|
|
851
|
+
graph_morphism.substitutions,
|
|
852
|
+
source_policy,
|
|
853
|
+
):
|
|
854
|
+
continue
|
|
855
|
+
descriptor_options.append(
|
|
856
|
+
(
|
|
857
|
+
target_index,
|
|
858
|
+
_matched_certificate(
|
|
859
|
+
layer,
|
|
860
|
+
source_configuration,
|
|
861
|
+
target_configuration,
|
|
862
|
+
graph_morphism,
|
|
863
|
+
source_policy,
|
|
864
|
+
),
|
|
865
|
+
)
|
|
866
|
+
)
|
|
867
|
+
options.append(descriptor_options)
|
|
868
|
+
assignment = _assign_certificates(
|
|
869
|
+
options,
|
|
870
|
+
source_configurations,
|
|
871
|
+
source_policies,
|
|
872
|
+
layer,
|
|
873
|
+
mode,
|
|
874
|
+
)
|
|
875
|
+
if assignment is None:
|
|
876
|
+
raise StereoMorphismError(
|
|
877
|
+
StereoMorphismIssue(
|
|
878
|
+
StereoMorphismIssueCode.MISSING_DESCRIPTOR,
|
|
879
|
+
"A source stereo descriptor has no policy-valid target.",
|
|
880
|
+
{"layer": layer},
|
|
881
|
+
)
|
|
882
|
+
)
|
|
883
|
+
certificates = [certificate for _target, certificate in assignment]
|
|
884
|
+
matched = frozenset(
|
|
885
|
+
target for target, _certificate in assignment if target is not None
|
|
886
|
+
)
|
|
887
|
+
return certificates, matched
|
|
888
|
+
|
|
889
|
+
|
|
890
|
+
def _validate_strict_target_extras(
|
|
891
|
+
graph_morphism: GraphMorphism,
|
|
892
|
+
target_graph: nx.Graph,
|
|
893
|
+
target_layers: Mapping[str, Mapping[str, StereoValue]],
|
|
894
|
+
matched_target_ids: frozenset[tuple[str, int]],
|
|
895
|
+
) -> None:
|
|
896
|
+
target_image = frozenset(graph_morphism.mapping.values())
|
|
897
|
+
for layer, target_registry in target_layers.items():
|
|
898
|
+
resolver = _morphism_reference_resolver(target_graph, layer)
|
|
899
|
+
target_items = sorted(target_registry.items(), key=lambda item: str(item[0]))
|
|
900
|
+
for target_index, (_key, descriptor) in enumerate(target_items):
|
|
901
|
+
configuration = _resolved_configuration(
|
|
902
|
+
descriptor,
|
|
903
|
+
resolver,
|
|
904
|
+
target_graph,
|
|
905
|
+
layer,
|
|
906
|
+
)
|
|
907
|
+
incident = any(
|
|
908
|
+
isinstance(token, tuple)
|
|
909
|
+
and token[0] == "node"
|
|
910
|
+
and token[1] in target_image
|
|
911
|
+
for token in configuration.frame
|
|
912
|
+
)
|
|
913
|
+
if incident and (layer, target_index) not in matched_target_ids:
|
|
914
|
+
raise StereoMorphismError(
|
|
915
|
+
StereoMorphismIssue(
|
|
916
|
+
StereoMorphismIssueCode.EXTRA_DESCRIPTOR,
|
|
917
|
+
"Strict stereo matching forbids an unmatched target "
|
|
918
|
+
"descriptor incident to the image.",
|
|
919
|
+
{"layer": layer},
|
|
920
|
+
)
|
|
921
|
+
)
|
|
922
|
+
|
|
923
|
+
|
|
924
|
+
def _build_certificates(
|
|
925
|
+
graph_morphism: GraphMorphism,
|
|
926
|
+
source_graph: nx.Graph,
|
|
927
|
+
target_graph: nx.Graph,
|
|
928
|
+
mode: StereoPresenceMode,
|
|
929
|
+
policy: StereoInformationPolicy,
|
|
930
|
+
information_policies: Mapping[str, StereoInformationPolicy | str],
|
|
931
|
+
) -> tuple[LocalStereoCertificate, ...]:
|
|
932
|
+
source_layers = stereo_registry_layers(source_graph)
|
|
933
|
+
target_layers = stereo_registry_layers(target_graph)
|
|
934
|
+
certificates: list[LocalStereoCertificate] = []
|
|
935
|
+
matched_target_ids: set[tuple[str, int]] = set()
|
|
936
|
+
for layer, source_registry in sorted(source_layers.items()):
|
|
937
|
+
layer_certificates, matched = _layer_certificates(
|
|
938
|
+
graph_morphism,
|
|
939
|
+
source_graph,
|
|
940
|
+
target_graph,
|
|
941
|
+
layer,
|
|
942
|
+
source_registry,
|
|
943
|
+
target_layers.get(layer, {}),
|
|
944
|
+
mode,
|
|
945
|
+
policy,
|
|
946
|
+
information_policies,
|
|
947
|
+
)
|
|
948
|
+
certificates.extend(layer_certificates)
|
|
949
|
+
matched_target_ids.update((layer, target) for target in matched)
|
|
950
|
+
if mode is StereoPresenceMode.STRICT:
|
|
951
|
+
_validate_strict_target_extras(
|
|
952
|
+
graph_morphism,
|
|
953
|
+
target_graph,
|
|
954
|
+
target_layers,
|
|
955
|
+
frozenset(matched_target_ids),
|
|
956
|
+
)
|
|
957
|
+
return tuple(certificates)
|