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9cabf87374
remove const specifiers from return values in DataStructs add initial pass at query-query matching for Atoms and Bonds fix and test for sf.net issu 2738320 add Mol.AddRecursiveQuery() method to Mol
54 lines
2.5 KiB
Plaintext
54 lines
2.5 KiB
Plaintext
project GraphMol : : ;
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import os ;
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local RDBASE = [ os.environ RDBASE ] ;
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lib GraphMol : Atom.cpp QueryAtom.cpp QueryBond.cpp Bond.cpp MolOps.cpp
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FindRings.cpp ROMol.cpp RWMol.cpp PeriodicTable.cpp atomic_data.cpp
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QueryOps.cpp MolPickler.cpp Canon.cpp AtomIterators.cpp BondIterators.cpp
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Aromaticity.cpp Kekulize.cpp MolDiscriminators.cpp ConjugHybrid.cpp
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AddHs.cpp RankAtoms.cpp Matrices.cpp Chirality.cpp RingInfo.cpp
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Conformer.cpp
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../RDGeneral//RDGeneral ../Geometry//RDGeometry
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: <toolset>msvc:<link>static : ;
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install lib-install : GraphMol : <location>$(RDBASE)/bin ;
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exe test1 : test1.cpp GraphMol ../RDGeneral//RDGeneral ../Geometry//RDGeometry ;
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exe cptest : cptest.cpp GraphMol ../RDGeneral//RDGeneral ../Geometry//RDGeometry ;
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exe querytest : querytest.cpp GraphMol ../RDGeneral//RDGeneral ../Geometry//RDGeometry ;
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exe MolOpsTest : molopstest.cpp GraphMol
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./FileParsers//FileParsers ./SmilesParse//SmilesParse
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../RDGeneral//RDGeneral ../Geometry//RDGeometry ;
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exe testCanon : testCanon.cpp GraphMol
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./SmilesParse//SmilesParse ./Substruct//Substruct
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../RDGeneral//RDGeneral ../Geometry//RDGeometry ;
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exe testChirality : testChirality.cpp GraphMol
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./SmilesParse//SmilesParse ./FileParsers//FileParsers
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../RDGeneral//RDGeneral ../Geometry//RDGeometry ;
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exe testPickler : testPickler.cpp GraphMol
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./SmilesParse//SmilesParse ./FileParsers//FileParsers ./Substruct//Substruct
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../RDGeneral//RDGeneral ../Geometry//RDGeometry ;
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exe itertest : itertest.cpp GraphMol
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./SmilesParse//SmilesParse
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../RDGeneral//RDGeneral ../Geometry//RDGeometry ;
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alias all : all-libraries all-wrappers regrs ;
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install regrs : test1 cptest querytest MolOpsTest testCanon testChirality testPickler itertest
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: <location>testExecs ;
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alias all-libraries : lib-install SmilesParse Substruct FileParsers Subgraphs Fingerprints FragCatalog
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Depictor PartialCharges MolTransforms ForceFieldHelpers DistGeomHelpers Descriptors
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MolChemicalFeatures MolAlign ShapeHelpers ChemTransforms MolCatalog ChemReactions SLNParse
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;
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alias minimal : lib-install SmilesParse Substruct FileParsers Depictor PartialCharges MolTransforms ForceFieldHelpers DistGeomHelpers MolChemicalFeatures MolAlign ChemTransforms ChemReactions SLNParse
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;
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alias all-wrappers : Wrap FragCatalog/Wrap PartialCharges/Wrap Depictor/Wrap
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DistGeomHelpers/Wrap ForceFieldHelpers/Wrap MolChemicalFeatures/Wrap
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MolAlign/Wrap MolTransforms/Wrap ShapeHelpers/Wrap MolCatalog/Wrap
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ChemReactions/Wrap Descriptors/Wrap SLNParse/Wrap
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;
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