rdkit_chem 2025.09.3.1-x86_64-linux
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.
- checksums.yaml +7 -0
- data/CMakeLists.txt +713 -0
- data/Code/CMakeLists.txt +44 -0
- data/Code/RubyWrappers/Abbreviations.i +19 -0
- data/Code/RubyWrappers/AddHs.i +34 -0
- data/Code/RubyWrappers/Atom.i +165 -0
- data/Code/RubyWrappers/AtomIterators.i +77 -0
- data/Code/RubyWrappers/AtomPairs.i +95 -0
- data/Code/RubyWrappers/AvalonLib.i +41 -0
- data/Code/RubyWrappers/BitOps.i +72 -0
- data/Code/RubyWrappers/Bond.i +87 -0
- data/Code/RubyWrappers/BondIterators.i +61 -0
- data/Code/RubyWrappers/CMakeLists.txt +67 -0
- data/Code/RubyWrappers/Canon.i +40 -0
- data/Code/RubyWrappers/ChemDraw.i +81 -0
- data/Code/RubyWrappers/ChemReactions.i +166 -0
- data/Code/RubyWrappers/ChemTransforms.i +126 -0
- data/Code/RubyWrappers/Conformer.i +69 -0
- data/Code/RubyWrappers/Descriptors.i +64 -0
- data/Code/RubyWrappers/Dict.i +45 -0
- data/Code/RubyWrappers/DistGeom.i +217 -0
- data/Code/RubyWrappers/DiversityPick.h +49 -0
- data/Code/RubyWrappers/DiversityPick.i +10 -0
- data/Code/RubyWrappers/ErrorGenerator.i +73 -0
- data/Code/RubyWrappers/ExplicitBitVect.i +76 -0
- data/Code/RubyWrappers/FMCS.i +63 -0
- data/Code/RubyWrappers/FilterCatalog.i +154 -0
- data/Code/RubyWrappers/Fingerprints.i +56 -0
- data/Code/RubyWrappers/ForceField.i +161 -0
- data/Code/RubyWrappers/GeneralizedSubstruct.i +38 -0
- data/Code/RubyWrappers/GenericRDKitException.h +27 -0
- data/Code/RubyWrappers/Inchi.i +38 -0
- data/Code/RubyWrappers/MolBundle.i +16 -0
- data/Code/RubyWrappers/MolDraw2D.i +117 -0
- data/Code/RubyWrappers/MolEnumerator.i +45 -0
- data/Code/RubyWrappers/MolHash.i +25 -0
- data/Code/RubyWrappers/MolOps.i +72 -0
- data/Code/RubyWrappers/MolStandardize.i +37 -0
- data/Code/RubyWrappers/MolSupplier.i +83 -0
- data/Code/RubyWrappers/MolTransforms.i +39 -0
- data/Code/RubyWrappers/MolWriters.i +41 -0
- data/Code/RubyWrappers/MonomerInfo.i +42 -0
- data/Code/RubyWrappers/MorganFingerprints.h +21 -0
- data/Code/RubyWrappers/MorganFingerprints.i +66 -0
- data/Code/RubyWrappers/PeriodicTable.i +44 -0
- data/Code/RubyWrappers/Queries.i +289 -0
- data/Code/RubyWrappers/QueryAtom.i +47 -0
- data/Code/RubyWrappers/QueryBond.i +47 -0
- data/Code/RubyWrappers/QueryOps.i +44 -0
- data/Code/RubyWrappers/RDKitExceptions.i +75 -0
- data/Code/RubyWrappers/RDLogger.i +74 -0
- data/Code/RubyWrappers/RDProps.i +44 -0
- data/Code/RubyWrappers/RGroupDecomposition.i +52 -0
- data/Code/RubyWrappers/ROMol.i +695 -0
- data/Code/RubyWrappers/RWMol.i +241 -0
- data/Code/RubyWrappers/RascalMCES.i +71 -0
- data/Code/RubyWrappers/ReactionFingerprints.i +37 -0
- data/Code/RubyWrappers/RingInfo.i +40 -0
- data/Code/RubyWrappers/Rings.i +40 -0
- data/Code/RubyWrappers/SanitException.i +100 -0
- data/Code/RubyWrappers/ScaffoldNetwork.i +28 -0
- data/Code/RubyWrappers/SmartsWrite.i +38 -0
- data/Code/RubyWrappers/SmilesParse.i +40 -0
- data/Code/RubyWrappers/SmilesWrite.i +42 -0
- data/Code/RubyWrappers/StereoGroup.i +16 -0
- data/Code/RubyWrappers/Streams.i +67 -0
- data/Code/RubyWrappers/Subgraphs.i +53 -0
- data/Code/RubyWrappers/Subset.i +75 -0
- data/Code/RubyWrappers/SubstanceGroup.i +91 -0
- data/Code/RubyWrappers/SubstructLibrary.i +80 -0
- data/Code/RubyWrappers/TautomerQuery.i +19 -0
- data/Code/RubyWrappers/Trajectory.i +34 -0
- data/Code/RubyWrappers/boost_tuple.i +64 -0
- data/Code/RubyWrappers/extend_std_vector.i +10 -0
- data/Code/RubyWrappers/gmwrapper/CMakeLists.txt +69 -0
- data/Code/RubyWrappers/gmwrapper/GraphMolRuby.i +431 -0
- data/Code/RubyWrappers/gmwrapper/std_list.i +65 -0
- data/Code/RubyWrappers/point.i +56 -0
- data/Code/RubyWrappers/transforms.i +60 -0
- data/Code/RubyWrappers/types.i +40 -0
- data/README.md +24 -0
- data/Rakefile +130 -0
- data/ext/rdkit_chem/CMakeLists.txt +69 -0
- data/ext/rdkit_chem/Makefile +5 -0
- data/ext/rdkit_chem/extconf.rb +84 -0
- data/lib/rdkit_chem/3.3.0/RDKitChem.so +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitAbbreviations.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitAbbreviations.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitAbbreviations.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitAlignment.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitAlignment.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitAlignment.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitCIPLabeler.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitCIPLabeler.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitCIPLabeler.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitCatalogs.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitCatalogs.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitCatalogs.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemDraw.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemDraw.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemDraw.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemReactions.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemReactions.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemReactions.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemTransforms.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemTransforms.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemTransforms.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemicalFeatures.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemicalFeatures.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitChemicalFeatures.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDataStructs.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDataStructs.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDataStructs.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDepictor.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDepictor.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDepictor.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDeprotect.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDeprotect.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDeprotect.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDescriptors.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDescriptors.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDescriptors.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDistGeomHelpers.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDistGeomHelpers.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDistGeomHelpers.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDistGeometry.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDistGeometry.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitDistGeometry.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitEigenSolvers.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitEigenSolvers.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitEigenSolvers.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitEnumerateStereoisomers.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitEnumerateStereoisomers.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitEnumerateStereoisomers.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFMCS.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFMCS.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFMCS.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFileParsers.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFileParsers.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFileParsers.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFilterCatalog.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFilterCatalog.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFilterCatalog.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFingerprints.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFingerprints.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFingerprints.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitForceField.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitForceField.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitForceField.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitForceFieldHelpers.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitForceFieldHelpers.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitForceFieldHelpers.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFragCatalog.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFragCatalog.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitFragCatalog.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitGeneralizedSubstruct.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitGeneralizedSubstruct.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitGeneralizedSubstruct.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitGenericGroups.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitGenericGroups.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitGenericGroups.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitGraphMol.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitGraphMol.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitGraphMol.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitInfoTheory.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitInfoTheory.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitInfoTheory.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMMPA.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMMPA.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMMPA.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMarvinParser.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMarvinParser.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMarvinParser.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolAlign.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolAlign.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolAlign.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolCatalog.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolCatalog.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolCatalog.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolChemicalFeatures.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolChemicalFeatures.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolChemicalFeatures.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolDraw2D.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolDraw2D.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolDraw2D.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolEnumerator.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolEnumerator.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolEnumerator.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolHash.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolHash.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolHash.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolInteractionFields.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolInteractionFields.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolInteractionFields.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolInterchange.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolInterchange.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolInterchange.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolProcessing.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolProcessing.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolProcessing.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolStandardize.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolStandardize.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolStandardize.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolTransforms.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolTransforms.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitMolTransforms.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitO3AAlign.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitO3AAlign.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitO3AAlign.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitOptimizer.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitOptimizer.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitOptimizer.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitPartialCharges.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitPartialCharges.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitPartialCharges.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitPubChemShape.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitPubChemShape.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitPubChemShape.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawLib.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawLib.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawLib.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawReactionLib.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawReactionLib.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDChemDrawReactionLib.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDGeneral.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDGeneral.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDGeneral.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDGeometryLib.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDGeometryLib.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDGeometryLib.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDStreams.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDStreams.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRDStreams.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRGroupDecomposition.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRGroupDecomposition.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRGroupDecomposition.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRascalMCES.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRascalMCES.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRascalMCES.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitReducedGraphs.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitReducedGraphs.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitReducedGraphs.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRingDecomposerLib.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRingDecomposerLib.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitRingDecomposerLib.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSLNParse.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSLNParse.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSLNParse.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitScaffoldNetwork.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitScaffoldNetwork.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitScaffoldNetwork.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitShapeHelpers.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitShapeHelpers.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitShapeHelpers.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSimDivPickers.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSimDivPickers.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSimDivPickers.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSmilesParse.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSmilesParse.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSmilesParse.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSubgraphs.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSubgraphs.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSubgraphs.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSubstructLibrary.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSubstructLibrary.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSubstructLibrary.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSubstructMatch.so +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSubstructMatch.so.1 +1 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSubstructMatch.so.1.2026.03.1pre +0 -0
- data/lib/rdkit_chem/3.3.0/libRDKitSynthonSpaceSearch.so +1 -0
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metadata
ADDED
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--- !ruby/object:Gem::Specification
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name: rdkit_chem
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version: !ruby/object:Gem::Version
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version: 2025.09.3.1
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platform: x86_64-linux
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authors:
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- An Nguyen
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bindir: bin
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cert_chain: []
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date: 1980-01-02 00:00:00.000000000 Z
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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requirements:
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- - "~>"
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requirement: !ruby/object:Gem::Requirement
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requirements:
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type: :development
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prerelease: false
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version_requirements: !ruby/object:Gem::Requirement
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description: Ruby bindings for RDKit cheminformatics library
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- lib/rdkit_chem/3.3.0/libRDKitMMPA.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitMarvinParser.so
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- lib/rdkit_chem/3.3.0/libRDKitMolCatalog.so
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- lib/rdkit_chem/3.3.0/libRDKitMolCatalog.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitMolChemicalFeatures.so
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- lib/rdkit_chem/3.3.0/libRDKitMolChemicalFeatures.so.1
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- lib/rdkit_chem/3.3.0/libRDKitMolDraw2D.so
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- lib/rdkit_chem/3.3.0/libRDKitMolHash.so
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- lib/rdkit_chem/3.3.0/libRDKitMolHash.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitMolInteractionFields.so
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- lib/rdkit_chem/3.3.0/libRDKitMolInterchange.so
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- lib/rdkit_chem/3.3.0/libRDKitMolInterchange.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitMolProcessing.so
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- lib/rdkit_chem/3.3.0/libRDKitMolProcessing.so.1
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- lib/rdkit_chem/3.3.0/libRDKitMolProcessing.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitMolStandardize.so
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- lib/rdkit_chem/3.3.0/libRDKitMolStandardize.so.1
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- lib/rdkit_chem/3.3.0/libRDKitMolStandardize.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitMolTransforms.so
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- lib/rdkit_chem/3.3.0/libRDKitMolTransforms.so.1
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- lib/rdkit_chem/3.3.0/libRDKitMolTransforms.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitO3AAlign.so
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- lib/rdkit_chem/3.3.0/libRDKitO3AAlign.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitOptimizer.so
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- lib/rdkit_chem/3.3.0/libRDKitOptimizer.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitPartialCharges.so
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- lib/rdkit_chem/3.3.0/libRDKitPartialCharges.so.1
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- lib/rdkit_chem/3.3.0/libRDKitPartialCharges.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitPubChemShape.so
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- lib/rdkit_chem/3.3.0/libRDKitPubChemShape.so.1
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- lib/rdkit_chem/3.3.0/libRDKitPubChemShape.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitRDChemDrawLib.so
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- lib/rdkit_chem/3.3.0/libRDKitRDChemDrawLib.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitRDChemDrawReactionLib.so
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- lib/rdkit_chem/3.3.0/libRDKitRDGeneral.so
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- lib/rdkit_chem/3.3.0/libRDKitRDGeneral.so.1
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- lib/rdkit_chem/3.3.0/libRDKitRDGeometryLib.so
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- lib/rdkit_chem/3.3.0/libRDKitRDGeometryLib.so.1
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- lib/rdkit_chem/3.3.0/libRDKitRDGeometryLib.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitRDStreams.so
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- lib/rdkit_chem/3.3.0/libRDKitRDStreams.so.1
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- lib/rdkit_chem/3.3.0/libRDKitRGroupDecomposition.so
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- lib/rdkit_chem/3.3.0/libRDKitRGroupDecomposition.so.1
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- lib/rdkit_chem/3.3.0/libRDKitRGroupDecomposition.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitRascalMCES.so
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- lib/rdkit_chem/3.3.0/libRDKitRascalMCES.so.1
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- lib/rdkit_chem/3.3.0/libRDKitRascalMCES.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitReducedGraphs.so
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287
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- lib/rdkit_chem/3.3.0/libRDKitReducedGraphs.so.1
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- lib/rdkit_chem/3.3.0/libRDKitReducedGraphs.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitRingDecomposerLib.so
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- lib/rdkit_chem/3.3.0/libRDKitRingDecomposerLib.so.1
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- lib/rdkit_chem/3.3.0/libRDKitRingDecomposerLib.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitSLNParse.so
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- lib/rdkit_chem/3.3.0/libRDKitSLNParse.so.1
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- lib/rdkit_chem/3.3.0/libRDKitSLNParse.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitScaffoldNetwork.so
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296
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- lib/rdkit_chem/3.3.0/libRDKitScaffoldNetwork.so.1
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297
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- lib/rdkit_chem/3.3.0/libRDKitScaffoldNetwork.so.1.2026.03.1pre
|
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298
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- lib/rdkit_chem/3.3.0/libRDKitShapeHelpers.so
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- lib/rdkit_chem/3.3.0/libRDKitShapeHelpers.so.1
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- lib/rdkit_chem/3.3.0/libRDKitShapeHelpers.so.1.2026.03.1pre
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301
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- lib/rdkit_chem/3.3.0/libRDKitSimDivPickers.so
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- lib/rdkit_chem/3.3.0/libRDKitSimDivPickers.so.1
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- lib/rdkit_chem/3.3.0/libRDKitSimDivPickers.so.1.2026.03.1pre
|
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304
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- lib/rdkit_chem/3.3.0/libRDKitSmilesParse.so
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305
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- lib/rdkit_chem/3.3.0/libRDKitSmilesParse.so.1
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- lib/rdkit_chem/3.3.0/libRDKitSmilesParse.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitSubgraphs.so
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- lib/rdkit_chem/3.3.0/libRDKitSubgraphs.so.1
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309
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- lib/rdkit_chem/3.3.0/libRDKitSubgraphs.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitSubstructLibrary.so
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- lib/rdkit_chem/3.3.0/libRDKitSubstructLibrary.so.1
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- lib/rdkit_chem/3.3.0/libRDKitSubstructLibrary.so.1.2026.03.1pre
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- lib/rdkit_chem/3.3.0/libRDKitSubstructMatch.so
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- lib/rdkit_chem/3.3.0/libRDKitSubstructMatch.so.1.2026.03.1pre
|
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- lib/rdkit_chem/3.3.0/libRDKitSynthonSpaceSearch.so
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- lib/rdkit_chem/3.3.0/libRDKitSynthonSpaceSearch.so.1
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- lib/rdkit_chem/3.3.0/libRDKitSynthonSpaceSearch.so.1.2026.03.1pre
|
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- lib/rdkit_chem/3.3.0/libRDKitTautomerQuery.so
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- lib/rdkit_chem/3.3.0/libRDKitTautomerQuery.so.1
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- lib/rdkit_chem/3.3.0/libRDKitTautomerQuery.so.1.2026.03.1pre
|
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- lib/rdkit_chem/3.3.0/libRDKitTrajectory.so
|
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323
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- lib/rdkit_chem/3.3.0/libRDKitTrajectory.so.1
|
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- lib/rdkit_chem/3.3.0/libRDKitTrajectory.so.1.2026.03.1pre
|
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- lib/rdkit_chem/3.3.0/libRDKitcoordgen.so
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- lib/rdkit_chem/3.3.0/libRDKitcoordgen.so.1
|
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- lib/rdkit_chem/3.3.0/libRDKitcoordgen.so.1.2026.03.1pre
|
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- lib/rdkit_chem/3.3.0/libRDKitga.so
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- lib/rdkit_chem/3.3.0/libRDKitga.so.1
|
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- lib/rdkit_chem/3.3.0/libRDKitga.so.1.2026.03.1pre
|
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- lib/rdkit_chem/3.3.0/libRDKithc.so
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|
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|
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- lib/rdkit_chem/3.3.0/libRDKitmaeparser.so
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- lib/rdkit_chem/3.3.0/libRDKitmaeparser.so.1
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- lib/rdkit_chem/3.3.0/libRDKitmaeparser.so.1.2026.03.1pre
|
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- lib/rdkit_chem/3.3.0/libRDKitpubchem_align3d.so
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- lib/rdkit_chem/3.3.0/libRDKitpubchem_align3d.so.1
|
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339
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- lib/rdkit_chem/3.3.0/libRDKitpubchem_align3d.so.1.2026.03.1pre
|
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340
|
+
- lib/rdkit_chem/version.rb
|
|
341
|
+
- test/test_rdkit_chem.rb
|
|
342
|
+
homepage: https://github.com/CamAnNguyen/rdkit-chem
|
|
343
|
+
licenses:
|
|
344
|
+
- BSD-3-Clause
|
|
345
|
+
metadata: {}
|
|
346
|
+
rdoc_options: []
|
|
347
|
+
require_paths:
|
|
348
|
+
- lib
|
|
349
|
+
required_ruby_version: !ruby/object:Gem::Requirement
|
|
350
|
+
requirements:
|
|
351
|
+
- - ">="
|
|
352
|
+
- !ruby/object:Gem::Version
|
|
353
|
+
version: 2.7.0
|
|
354
|
+
required_rubygems_version: !ruby/object:Gem::Requirement
|
|
355
|
+
requirements:
|
|
356
|
+
- - ">="
|
|
357
|
+
- !ruby/object:Gem::Version
|
|
358
|
+
version: '0'
|
|
359
|
+
requirements: []
|
|
360
|
+
rubygems_version: 4.0.1
|
|
361
|
+
specification_version: 4
|
|
362
|
+
summary: Ruby gem for RDKit
|
|
363
|
+
test_files:
|
|
364
|
+
- test/test_rdkit_chem.rb
|