| /dports/science/cdk/cdk-cdk-2.3/base/standard/src/main/java/org/openscience/cdk/tools/manipulator/ |
| H A D | ReactionManipulator.java | 61 IAtomContainerSet reactants = reaction.getReactants(); in getAtomCount() local
78 IAtomContainerSet reactants = reaction.getReactants(); in getBondCount() local
94 IAtomContainerSet reactants = reaction.getReactants(); in removeAtomAndConnectedElectronContainers() local
118 IAtomContainerSet reactants = reaction.getReactants(); in removeElectronContainer() local
180 IAtomContainerSet reactants = reaction.getReactants(); in getAllReactants() local
211 IAtomContainerSet reactants = reaction.getReactants(); in reverse() local
236 IAtomContainerSet reactants = reaction.getReactants(); in getAllIDs() local
266 IAtomContainerSet reactants = reaction.getReactants(); in setAtomProperties() local
279 IAtomContainerSet reactants = reaction.getReactants(); in getAllChemObjects() local
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/JavaWrappers/gmwrapper/src-test/org/RDKit/ |
| H A D | ChemReactionTests.java | 321 ROMol_Vect reactants = new ROMol_Vect(); in test6Exceptions_2() local
330 ROMol_Vect reactants = new ROMol_Vect(); in test6Exceptions_3() local
340 ROMol_Vect reactants = new ROMol_Vect(); in test8Properties() local
355 ROMol_Vect reactants = new ROMol_Vect(); in test9AromaticityTransfer() local
372 ROMol_Vect reactants = new ROMol_Vect(); in test10DotSeparation() local
388 ROMol_Vect reactants = new ROMol_Vect(); in test11ImplicitProperties() local
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| /dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/interfaces/cython/cantera/examples/onedim/ |
| H A D | flamespeed_sensitivity.py | 14 reactants = 'CH4:0.45, O2:1.0, N2:3.76' variable
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| H A D | ion_free_flame.py | 12 reactants = 'CH4:1, O2:2, N2:7.52' # premixed gas composition variable
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| H A D | adiabatic_flame.py | 13 reactants = 'H2:1.1, O2:1, AR:5' # premixed gas composition variable
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| H A D | ion_burner_flame.py | 11 reactants = 'CH4:1.0, O2:2.0, N2:7.52' # premixed gas composition variable
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| H A D | burner_flame.py | 12 reactants = 'H2:1.5, O2:1, AR:7' # premixed gas composition variable
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| /dports/science/cdk/cdk-cdk-2.3/misc/extra/src/main/java/org/openscience/cdk/validate/ |
| H A D | BasicValidator.java | 108 IAtomContainerSet reactants = subject.getReactants(); in validateReaction() local
335 …rivate ValidationReport validateAtomCountConservation(IReaction reaction, IAtomContainer reactants, in validateAtomCountConservation()
348 … private ValidationReport validateChargeConservation(IReaction reaction, IAtomContainer reactants, in validateChargeConservation()
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| /dports/science/cdk/cdk-cdk-2.3/base/reaction/src/main/java/org/openscience/cdk/reaction/ |
| H A D | IReactionProcess.java | 87 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ChemReactions/ |
| H A D | catch_tests.cpp | 73 MOL_SPTR_VECT reactants = {mol}; variable
91 MOL_SPTR_VECT reactants = {mol}; variable
109 MOL_SPTR_VECT reactants = {mol}; variable
132 MOL_SPTR_VECT reactants = {mol1, mol2}; variable
158 MOL_SPTR_VECT reactants = {mol}; variable
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| /dports/science/cdk/cdk-cdk-2.3/display/renderextra/src/main/java/org/openscience/cdk/renderer/generators/ |
| H A D | BoundsGenerator.java | 66 IAtomContainerSet reactants = reaction.getReactants(); in generate() local
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| H A D | ReactionPlusGenerator.java | 50 IAtomContainerSet reactants = reaction.getReactants(); in generate() local
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| /dports/science/cdk/cdk-cdk-2.3/display/renderbasic/src/main/java/org/openscience/cdk/renderer/ |
| H A D | AverageBondLengthCalculator.java | 49 IAtomContainerSet reactants = reaction.getReactants(); in calculateAverageBondLength() local
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| /dports/science/cdk/cdk-cdk-2.3/base/reaction/src/main/java/org/openscience/cdk/reaction/type/ |
| H A D | AdductionProtonLPReaction.java | 110 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| H A D | ElectronImpactNBEReaction.java | 108 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| H A D | AdductionSodiumLPReaction.java | 110 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| H A D | ElectronImpactPDBReaction.java | 106 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| H A D | ElectronImpactSDBReaction.java | 104 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| H A D | HeterolyticCleavagePBReaction.java | 113 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| H A D | HeterolyticCleavageSBReaction.java | 113 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| H A D | AdductionProtonPBReaction.java | 110 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| H A D | HomolyticCleavageReaction.java | 105 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| H A D | PiBondingMovementReaction.java | 109 …public IReactionSet initiate(IAtomContainerSet reactants, IAtomContainerSet agents) throws CDKExce… in initiate()
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| /dports/science/cdk/cdk-cdk-2.3/base/data/src/main/java/org/openscience/cdk/ |
| H A D | Reaction.java | 66 protected IAtomContainerSet reactants; field in Reaction
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| /dports/science/cdk/cdk-cdk-2.3/base/silent/src/main/java/org/openscience/cdk/silent/ |
| H A D | Reaction.java | 66 protected IAtomContainerSet reactants; field in Reaction
|