| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/PgSQL/rdkit/ |
| H A D | rxn_op.c | 66 CChemicalReaction rxn, rxn2; in reaction_substruct() local
86 CChemicalReaction rxn, rxn2; in reaction_rsubstruct() local
106 CChemicalReaction rxn, rxn2; in reaction_substructFP() local
126 CChemicalReaction rxn, rxn2; in reaction_rsubstructFP() local
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| H A D | adapter.cpp | 1697 CChemicalReaction rxn2) { in ReactionSubstruct()
1811 extern "C" int reactioncmp(CChemicalReaction rxn, CChemicalReaction rxn2) { in reactioncmp()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ChemReactions/ |
| H A D | testReactionFingerprints.cpp | 572 ChemicalReaction *rxn1, *rxn2; in testDifferenceFingerprintsReaction() local
597 ChemicalReaction *rxn1, *rxn2; in testDifferenceFingerprintsReaction() local
622 ChemicalReaction *rxn1, *rxn2; in testDifferenceFingerprintsReaction() local
646 ChemicalReaction *rxn1, *rxn2; in testDifferenceFingerprintsReaction() local
673 ChemicalReaction *rxn1, *rxn2; in testDifferenceFingerprintsReaction() local
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| H A D | catch_tests.cpp | 240 unique_ptr<ChemicalReaction> rxn2( variable
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| H A D | testReaction.cpp | 4513 ChemicalReaction *rxn2 = RxnMolToChemicalReaction(*mol); in test47TestReactionMoleculeConversion() local
5740 ChemicalReaction *rxn2 = in test58MolFileValueRoundTrip() local
7380 std::unique_ptr<ChemicalReaction> rxn2( in testDblBondCrash() local
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| /dports/biology/py-python-libsbml/python-libsbml-5.19.0/libsbml_source/examples/c++/comp/ |
| H A D | spec_example1.cpp | 98 Reaction rxn2(rxn); in main() local
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| H A D | spec_example4.cpp | 102 Reaction rxn2(rxn); in main() local
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ |
| H A D | PicklingTests.java | 64 ChemicalReaction rxn2 = ChemicalReaction.RxnFromBinary(pkl); in testBasicReactionPickling() local
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| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/hotint/HotInt_V1/ElementsLib/beams/ |
| H A D | ANCFBeamBE2D.cpp | 112 double rxn2 = rx.Norm2(); in EvalF2() local
315 double rxn2 = rx.Norm2(); in GetDeltaKappa() local
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ChemReactions/Enumerate/ |
| H A D | testEnumerate.cpp | 282 ChemicalReaction *rxn2 = RxnBlockToChemicalReaction(rxndata); in testInsaneEnumerations() local
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| /dports/science/cdk/cdk-cdk-2.3/storage/smiles/src/test/java/org/openscience/cdk/smiles/ |
| H A D | CxSmilesTest.java | 365 …IReaction rxn2 = smipar.parseReactionSmiles("ClC([*])=O.CC(C)c1ccccc1>[Al+3].[Cl-].[Cl-].[Cl-].ClC… in canonicalReactionAtomLabelsAndFragmentGroups() local
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| /dports/science/smoldyn/smoldyn-2.67/source/Smoldyn/ |
| H A D | smolreact.c | 1029 rxnptr rxn,rxn1,rxn2,revrxn; in checkrxnparams() local
1290 rxnptr rxn,rxn2,revrxn; in rxnsetrate() local
1577 rxnptr rxn,rxnr,rxn2; in rxncalcrate() local
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