From 2738c35178fc144d24200bb6cd4625d0b56f04d6 Mon Sep 17 00:00:00 2001 From: Greg Landrum Date: Wed, 25 Jul 2018 09:14:17 +0200 Subject: [PATCH] Fixes #1903 (#1971) * Fixes #1903 * update SWIG bindings too --- Code/Catalogs/Catalog.h | 2 +- Code/Catalogs/CatalogEntry.h | 2 +- Code/Catalogs/CatalogParams.h | 2 +- Code/ChemicalFeatures/ChemicalFeature.h | 2 +- Code/ChemicalFeatures/FreeChemicalFeature.h | 2 +- Code/DataManip/MetricMatrixCalc/MetricFuncs.h | 2 +- Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h | 2 +- Code/DataStructs/BitOps.h | 2 +- Code/DataStructs/BitVect.h | 2 +- Code/DataStructs/BitVectUtils.h | 2 +- Code/DataStructs/BitVects.h | 2 +- Code/DataStructs/DatastructsException.h | 2 +- Code/DataStructs/DiscreteDistMat.h | 2 +- Code/DataStructs/DiscreteValueVect.h | 2 +- Code/DataStructs/ExplicitBitVect.h | 2 +- Code/DataStructs/FPBReader.h | 2 +- Code/DataStructs/MultiFPBReader.h | 2 +- Code/DataStructs/SparseBitVect.h | 2 +- Code/DataStructs/SparseIntVect.h | 2 +- Code/DataStructs/Wrap/wrap_helpers.h | 2 +- Code/DataStructs/base64.h | 2 +- Code/DistGeom/BoundsMatrix.h | 2 +- Code/DistGeom/ChiralSet.h | 2 +- Code/DistGeom/ChiralViolationContrib.h | 2 +- Code/DistGeom/DistGeomUtils.h | 2 +- Code/DistGeom/DistViolationContrib.h | 2 +- Code/DistGeom/FourthDimContrib.h | 2 +- Code/DistGeom/TriangleSmooth.h | 2 +- Code/Features/Feature.h | 2 +- Code/ForceField/Contrib.h | 2 +- Code/ForceField/ForceField.h | 2 +- Code/ForceField/MMFF/AngleBend.h | 2 +- Code/ForceField/MMFF/AngleConstraint.h | 2 +- Code/ForceField/MMFF/BondStretch.h | 2 +- Code/ForceField/MMFF/Contribs.h | 2 +- Code/ForceField/MMFF/DistanceConstraint.h | 2 +- Code/ForceField/MMFF/Nonbonded.h | 2 +- Code/ForceField/MMFF/OopBend.h | 2 +- Code/ForceField/MMFF/Params.h | 2 +- Code/ForceField/MMFF/PositionConstraint.h | 2 +- Code/ForceField/MMFF/StretchBend.h | 2 +- Code/ForceField/MMFF/TorsionAngle.h | 2 +- Code/ForceField/MMFF/TorsionConstraint.h | 2 +- Code/ForceField/UFF/AngleBend.h | 2 +- Code/ForceField/UFF/AngleConstraint.h | 2 +- Code/ForceField/UFF/BondStretch.h | 2 +- Code/ForceField/UFF/Contribs.h | 2 +- Code/ForceField/UFF/DistanceConstraint.h | 2 +- Code/ForceField/UFF/Inversion.h | 2 +- Code/ForceField/UFF/Nonbonded.h | 2 +- Code/ForceField/UFF/Params.h | 2 +- Code/ForceField/UFF/PositionConstraint.h | 2 +- Code/ForceField/UFF/TorsionAngle.h | 2 +- Code/ForceField/UFF/TorsionConstraint.h | 2 +- Code/ForceField/Wrap/PyForceField.h | 2 +- Code/Geometry/Grid3D.h | 2 +- Code/Geometry/GridUtils.h | 2 +- Code/Geometry/Transform.h | 2 +- Code/Geometry/Transform2D.h | 2 +- Code/Geometry/Transform3D.h | 2 +- Code/Geometry/UniformGrid3D.h | 2 +- Code/Geometry/Utils.h | 2 +- Code/Geometry/point.h | 2 +- Code/GraphMol/Atom.h | 2 +- Code/GraphMol/AtomIterators.h | 2 +- Code/GraphMol/Basement/FeatTrees/FeatTree.h | 2 +- Code/GraphMol/Basement/FeatTrees/FeatTreeUtils.h | 2 +- Code/GraphMol/Bond.h | 2 +- Code/GraphMol/BondIterators.h | 2 +- Code/GraphMol/Canon.h | 2 +- Code/GraphMol/ChemReactions/Enumerate/CartesianProduct.h | 2 +- Code/GraphMol/ChemReactions/Enumerate/Enumerate.h | 2 +- Code/GraphMol/ChemReactions/Enumerate/EnumerateBase.h | 2 +- Code/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h | 2 +- Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h | 2 +- Code/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h | 2 +- Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.h | 2 +- Code/GraphMol/ChemReactions/Enumerate/RandomSample.h | 2 +- Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h | 2 +- Code/GraphMol/ChemReactions/PreprocessRxn.h | 2 +- Code/GraphMol/ChemReactions/Reaction.h | 2 +- Code/GraphMol/ChemReactions/ReactionFingerprints.h | 2 +- Code/GraphMol/ChemReactions/ReactionParser.h | 2 +- Code/GraphMol/ChemReactions/ReactionPickler.h | 2 +- Code/GraphMol/ChemReactions/ReactionRunner.h | 2 +- Code/GraphMol/ChemReactions/ReactionUtils.h | 2 +- Code/GraphMol/ChemReactions/SanitizeRxn.h | 2 +- Code/GraphMol/ChemTransforms/ChemTransforms.h | 2 +- Code/GraphMol/ChemTransforms/MolFragmenter.h | 2 +- Code/GraphMol/Chirality.h | 2 +- Code/GraphMol/Conformer.h | 2 +- Code/GraphMol/Depictor/Basement/Depictor.h | 2 +- Code/GraphMol/Depictor/DepictUtils.h | 2 +- Code/GraphMol/Depictor/EmbeddedFrag.h | 2 +- Code/GraphMol/Depictor/RDDepictor.h | 2 +- Code/GraphMol/Descriptors/AUTOCORR2D.h | 2 +- Code/GraphMol/Descriptors/AUTOCORR3D.h | 2 +- Code/GraphMol/Descriptors/ConnectivityDescriptors.h | 2 +- Code/GraphMol/Descriptors/Crippen.h | 2 +- Code/GraphMol/Descriptors/Data3Ddescriptors.h | 2 +- Code/GraphMol/Descriptors/GETAWAY.h | 2 +- Code/GraphMol/Descriptors/Lipinski.h | 2 +- Code/GraphMol/Descriptors/MORSE.h | 2 +- Code/GraphMol/Descriptors/MQN.h | 2 +- Code/GraphMol/Descriptors/MolData3Ddescriptors.h | 2 +- Code/GraphMol/Descriptors/MolDescriptors.h | 2 +- Code/GraphMol/Descriptors/MolDescriptors3D.h | 2 +- Code/GraphMol/Descriptors/MolSurf.h | 2 +- Code/GraphMol/Descriptors/PBF.h | 2 +- Code/GraphMol/Descriptors/PMI.h | 2 +- Code/GraphMol/Descriptors/Property.h | 2 +- Code/GraphMol/Descriptors/RDF.h | 2 +- Code/GraphMol/Descriptors/RegisterDescriptor.h | 2 +- Code/GraphMol/Descriptors/USRDescriptor.h | 2 +- Code/GraphMol/Descriptors/WHIM.h | 2 +- Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h | 2 +- Code/GraphMol/DistGeomHelpers/Embedder.h | 2 +- Code/GraphMol/FMCS/Composition2N.h | 2 +- Code/GraphMol/FMCS/DebugTrace.h | 2 +- Code/GraphMol/FMCS/DuplicatedSeedCache.h | 2 +- Code/GraphMol/FMCS/FMCS.h | 2 +- Code/GraphMol/FMCS/Graph.h | 2 +- Code/GraphMol/FMCS/MatchTable.h | 2 +- Code/GraphMol/FMCS/MaximumCommonSubgraph.h | 2 +- Code/GraphMol/FMCS/RingMatchTableSet.h | 2 +- Code/GraphMol/FMCS/Seed.h | 2 +- Code/GraphMol/FMCS/SeedSet.h | 2 +- Code/GraphMol/FMCS/SubstructMatchCustom.h | 2 +- Code/GraphMol/FMCS/SubstructureCache.h | 2 +- Code/GraphMol/FMCS/Target.h | 2 +- Code/GraphMol/FMCS/TargetMatch.h | 2 +- Code/GraphMol/FileParsers/FileParserUtils.h | 2 +- Code/GraphMol/FileParsers/FileParsers.h | 2 +- Code/GraphMol/FileParsers/MolFileStereochem.h | 2 +- Code/GraphMol/FileParsers/MolSupplier.h | 2 +- Code/GraphMol/FileParsers/MolWriters.h | 2 +- Code/GraphMol/FileParsers/ProximityBonds.h | 2 +- Code/GraphMol/FileParsers/SequenceParsers.h | 2 +- Code/GraphMol/FileParsers/SequenceWriters.h | 2 +- Code/GraphMol/FilterCatalog/FilterCatalog.h | 2 +- Code/GraphMol/FilterCatalog/FilterCatalogEntry.h | 2 +- Code/GraphMol/FilterCatalog/FilterMatcherBase.h | 2 +- Code/GraphMol/FilterCatalog/FilterMatchers.h | 2 +- Code/GraphMol/FilterCatalog/Filters.h | 2 +- Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h | 2 +- Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.h | 2 +- Code/GraphMol/Fingerprints/AtomPairs.h | 2 +- Code/GraphMol/Fingerprints/Fingerprints.h | 2 +- Code/GraphMol/Fingerprints/MACCS.h | 2 +- Code/GraphMol/Fingerprints/MorganFingerprints.h | 2 +- Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h | 2 +- Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h | 2 +- Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h | 2 +- Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h | 2 +- Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h | 2 +- Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h | 2 +- Code/GraphMol/ForceFieldHelpers/UFF/Builder.h | 2 +- Code/GraphMol/ForceFieldHelpers/UFF/UFF.h | 2 +- Code/GraphMol/FragCatalog/FragCatGenerator.h | 2 +- Code/GraphMol/FragCatalog/FragCatParams.h | 2 +- Code/GraphMol/FragCatalog/FragCatalogEntry.h | 2 +- Code/GraphMol/FragCatalog/FragCatalogUtils.h | 2 +- Code/GraphMol/FragCatalog/FragFPGenerator.h | 2 +- Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.h | 2 +- Code/GraphMol/GraphMol.h | 2 +- Code/GraphMol/MMPA/MMPA.h | 2 +- Code/GraphMol/MolAlign/AlignMolecules.h | 2 +- Code/GraphMol/MolAlign/O3AAlignMolecules.h | 2 +- Code/GraphMol/MolBundle.h | 2 +- Code/GraphMol/MolCatalog/MolCatalog.h | 2 +- Code/GraphMol/MolCatalog/MolCatalogEntry.h | 2 +- Code/GraphMol/MolCatalog/MolCatalogParams.h | 2 +- Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.h | 2 +- Code/GraphMol/MolChemicalFeatures/FeatureParser.h | 2 +- Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h | 2 +- Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h | 2 +- Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h | 2 +- Code/GraphMol/MolDraw2D/MolDraw2D.h | 2 +- Code/GraphMol/MolDraw2D/MolDraw2DCairo.h | 2 +- Code/GraphMol/MolDraw2D/MolDraw2DDetails.h | 2 +- Code/GraphMol/MolDraw2D/MolDraw2DQt.h | 2 +- Code/GraphMol/MolDraw2D/MolDraw2DSVG.h | 2 +- Code/GraphMol/MolDraw2D/MolDraw2DUtils.h | 2 +- Code/GraphMol/MolDraw2D/MolDraw2Dwx.h | 2 +- Code/GraphMol/MolDraw2D/MultiMolDraw2D.h | 2 +- Code/GraphMol/MolDrawing/DrawingToCairo.h | 2 +- Code/GraphMol/MolDrawing/DrawingToSVG.h | 2 +- Code/GraphMol/MolDrawing/MolDrawing.h | 2 +- Code/GraphMol/MolHash/MolHash.h | 2 +- Code/GraphMol/MolInterchange/MolInterchange.h | 2 +- Code/GraphMol/MolInterchange/details.h | 2 +- Code/GraphMol/MolOps.h | 2 +- Code/GraphMol/MolPickler.h | 2 +- Code/GraphMol/MolTransforms/MolTransforms.h | 2 +- Code/GraphMol/MonomerInfo.h | 2 +- Code/GraphMol/PartialCharges/GasteigerCharges.h | 2 +- Code/GraphMol/PartialCharges/GasteigerParams.h | 2 +- Code/GraphMol/PeriodicTable.h | 2 +- Code/GraphMol/QueryAtom.h | 2 +- Code/GraphMol/QueryBond.h | 2 +- Code/GraphMol/QueryOps.h | 2 +- Code/GraphMol/RDKitBase.h | 2 +- Code/GraphMol/RDKitQueries.h | 2 +- Code/GraphMol/RGroupDecomposition/RGroupDecomp.h | 2 +- Code/GraphMol/ROMol.h | 2 +- Code/GraphMol/RWMol.h | 2 +- Code/GraphMol/ReducedGraphs/ReducedGraphs.h | 2 +- Code/GraphMol/Resonance.h | 2 +- Code/GraphMol/RingInfo.h | 2 +- Code/GraphMol/Rings.h | 2 +- Code/GraphMol/SLNParse/SLNAttribs.h | 2 +- Code/GraphMol/SLNParse/SLNParse.h | 2 +- Code/GraphMol/SLNParse/SLNParseOps.h | 2 +- Code/GraphMol/SanitException.h | 2 +- Code/GraphMol/ShapeHelpers/ShapeEncoder.h | 2 +- Code/GraphMol/ShapeHelpers/ShapeUtils.h | 2 +- Code/GraphMol/SmilesParse/SmartsWrite.h | 2 +- Code/GraphMol/SmilesParse/SmilesParse.h | 2 +- Code/GraphMol/SmilesParse/SmilesParseOps.h | 2 +- Code/GraphMol/SmilesParse/SmilesWrite.h | 2 +- Code/GraphMol/SmilesParse/primes.h | 2 +- Code/GraphMol/StructChecker/Pattern.h | 2 +- Code/GraphMol/StructChecker/ReCharge.h | 2 +- Code/GraphMol/StructChecker/Stereo.h | 2 +- Code/GraphMol/StructChecker/StripSmallFragments.h | 2 +- Code/GraphMol/StructChecker/StructChecker.h | 2 +- Code/GraphMol/StructChecker/StructCheckerOptions.h | 2 +- Code/GraphMol/StructChecker/Tautomer.h | 2 +- Code/GraphMol/StructChecker/Utilites.h | 2 +- Code/GraphMol/Subgraphs/SubgraphUtils.h | 2 +- Code/GraphMol/Subgraphs/Subgraphs.h | 2 +- Code/GraphMol/Substruct/SubstructMatch.h | 2 +- Code/GraphMol/Substruct/SubstructUtils.h | 2 +- Code/GraphMol/SubstructLibrary/SubstructLibrary.h | 2 +- Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.h | 2 +- Code/GraphMol/Trajectory/Snapshot.h | 2 +- Code/GraphMol/Trajectory/Trajectory.h | 2 +- Code/GraphMol/Wrap/MolSupplier.h | 2 +- Code/GraphMol/Wrap/rdchem.h | 2 +- Code/GraphMol/Wrap/rdmolfiles.h | 2 +- Code/GraphMol/Wrap/rdmolops.h | 2 +- Code/GraphMol/Wrap/substructmethods.h | 2 +- Code/GraphMol/atomic_data.h | 2 +- Code/GraphMol/details.h | 2 +- Code/GraphMol/new_canon.h | 2 +- Code/JavaWrappers/DiversityPick.h | 2 +- Code/JavaWrappers/GenericRDKitException.h | 2 +- Code/JavaWrappers/MorganFingerprints.h | 2 +- Code/JavaWrappers/csharp_wrapper/GraphMolCSharp.i | 2 +- Code/JavaWrappers/gmwrapper/GraphMolJava.i | 2 +- Code/ML/Cluster/Murtagh/f2c.h | 2 +- Code/ML/InfoTheory/CorrMatGenerator.h | 2 +- Code/ML/InfoTheory/InfoBitRanker.h | 2 +- Code/ML/InfoTheory/InfoGainFuncs.h | 2 +- Code/Numerics/Alignment/AlignPoints.h | 2 +- Code/Numerics/EigenSolvers/PowerEigenSolver.h | 2 +- Code/Numerics/Matrix.h | 2 +- Code/Numerics/Optimizer/BFGSOpt.h | 2 +- Code/Numerics/SquareMatrix.h | 2 +- Code/Numerics/SymmMatrix.h | 2 +- Code/Numerics/Vector.h | 2 +- Code/PgSQL/rdkit/bitstring.h | 2 +- Code/PgSQL/rdkit/cache.h | 2 +- Code/PgSQL/rdkit/guc.h | 2 +- Code/PgSQL/rdkit/rdkit.h | 2 +- Code/Query/AndQuery.h | 2 +- Code/Query/EqualityQuery.h | 2 +- Code/Query/GreaterEqualQuery.h | 2 +- Code/Query/GreaterQuery.h | 2 +- Code/Query/LessEqualQuery.h | 2 +- Code/Query/LessQuery.h | 2 +- Code/Query/OrQuery.h | 2 +- Code/Query/Query.h | 2 +- Code/Query/QueryObjects.h | 2 +- Code/Query/RangeQuery.h | 2 +- Code/Query/SetQuery.h | 2 +- Code/Query/XOrQuery.h | 2 +- Code/RDBoost/CMakeLists.txt | 1 - Code/RDBoost/PySequenceHolder.h | 2 +- Code/RDBoost/Wrap.h | 2 +- Code/RDBoost/boost_numpy.h | 2 +- Code/RDBoost/import_array.h | 2 +- Code/RDBoost/iterator_next.h | 2 +- Code/RDBoost/pyint_api.h | 2 +- Code/RDBoost/python.h | 2 +- Code/RDBoost/python_streambuf.h | 2 +- Code/RDGeneral/BadFileException.h | 2 +- Code/RDGeneral/BoostEndInclude.h | 2 +- Code/RDGeneral/BoostStartInclude.h | 2 +- Code/RDGeneral/CMakeLists.txt | 1 + Code/RDGeneral/Dict.h | 2 +- Code/RDGeneral/Exceptions.h | 2 +- Code/RDGeneral/FileParseException.h | 2 +- Code/RDGeneral/Invariant.h | 2 +- Code/RDGeneral/LocaleSwitcher.h | 2 +- Code/RDGeneral/RDAny.h | 2 +- Code/RDGeneral/RDLog.h | 2 +- Code/RDGeneral/RDProps.h | 2 +- Code/RDGeneral/RDThreads.h | 2 +- Code/RDGeneral/RDValue-doublemagic.h | 2 +- Code/RDGeneral/RDValue-taggedunion.h | 2 +- Code/RDGeneral/RDValue.h | 2 +- Code/RDGeneral/Ranking.h | 2 +- Code/RDGeneral/StreamOps.h | 2 +- Code/RDGeneral/hanoiSort.h | 2 +- Code/RDGeneral/types.h | 2 +- Code/RDGeneral/utils.h | 2 +- Code/RDGeneral/versions.h.cmake | 2 +- Code/SimDivPickers/DistPicker.h | 2 +- Code/SimDivPickers/HierarchicalClusterPicker.h | 2 +- Code/SimDivPickers/MaxMinPicker.h | 2 +- Code/cmake/Modules/RDKitUtils.cmake | 2 +- External/AvalonTools/AvalonTools.h | 2 +- External/INCHI-API/inchi.h | 2 +- 314 files changed, 313 insertions(+), 313 deletions(-) diff --git a/Code/Catalogs/Catalog.h b/Code/Catalogs/Catalog.h index 37e65ad65..a3054877f 100644 --- a/Code/Catalogs/Catalog.h +++ b/Code/Catalogs/Catalog.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef __RD_CATALOG_H__ #define __RD_CATALOG_H__ diff --git a/Code/Catalogs/CatalogEntry.h b/Code/Catalogs/CatalogEntry.h index 31002fd6e..57b614dd5 100644 --- a/Code/Catalogs/CatalogEntry.h +++ b/Code/Catalogs/CatalogEntry.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_CATALOGENTRY_H__ #define __RD_CATALOGENTRY_H__ diff --git a/Code/Catalogs/CatalogParams.h b/Code/Catalogs/CatalogParams.h index 4c1a09be6..68f4c11f8 100644 --- a/Code/Catalogs/CatalogParams.h +++ b/Code/Catalogs/CatalogParams.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_CATALOGPARAMS_H__ #define __RD_CATALOGPARAMS_H__ diff --git a/Code/ChemicalFeatures/ChemicalFeature.h b/Code/ChemicalFeatures/ChemicalFeature.h index e826c9f38..61261c7e2 100644 --- a/Code/ChemicalFeatures/ChemicalFeature.h +++ b/Code/ChemicalFeatures/ChemicalFeature.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __CHEMICALFEATURE_H_11012005_1310__ #define __CHEMICALFEATURE_H_11012005_1310__ diff --git a/Code/ChemicalFeatures/FreeChemicalFeature.h b/Code/ChemicalFeatures/FreeChemicalFeature.h index a89dc5e5c..6b8815a37 100644 --- a/Code/ChemicalFeatures/FreeChemicalFeature.h +++ b/Code/ChemicalFeatures/FreeChemicalFeature.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __FREECHEMICALFEATURE_H_13012005_1023__ #define __FREECHEMICALFEATURE_H_13012005_1023__ diff --git a/Code/DataManip/MetricMatrixCalc/MetricFuncs.h b/Code/DataManip/MetricMatrixCalc/MetricFuncs.h index 28b3bd4c0..69e96a0c9 100644 --- a/Code/DataManip/MetricMatrixCalc/MetricFuncs.h +++ b/Code/DataManip/MetricMatrixCalc/MetricFuncs.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_METRICFUNCS_H__ #define __RD_METRICFUNCS_H__ #include diff --git a/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h b/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h index 5a93029c1..8c8cb3cf6 100644 --- a/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h +++ b/Code/DataManip/MetricMatrixCalc/MetricMatrixCalc.h @@ -8,7 +8,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_METRICMATRIXCAL_H__ #define __RD_METRICMATRIXCAL_H__ diff --git a/Code/DataStructs/BitOps.h b/Code/DataStructs/BitOps.h index b0b968b42..6d6ae65c9 100644 --- a/Code/DataStructs/BitOps.h +++ b/Code/DataStructs/BitOps.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_BITOPS_H__ #define __RD_BITOPS_H__ /*! \file BitOps.h diff --git a/Code/DataStructs/BitVect.h b/Code/DataStructs/BitVect.h index 3d36ac883..0f16ae3d6 100644 --- a/Code/DataStructs/BitVect.h +++ b/Code/DataStructs/BitVect.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_BITVECT_H__ #define __RD_BITVECT_H__ diff --git a/Code/DataStructs/BitVectUtils.h b/Code/DataStructs/BitVectUtils.h index 324297c78..2e228d88d 100644 --- a/Code/DataStructs/BitVectUtils.h +++ b/Code/DataStructs/BitVectUtils.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_BITVECTS_UTILS_H__ #define __RD_BITVECTS_UTILS_H__ diff --git a/Code/DataStructs/BitVects.h b/Code/DataStructs/BitVects.h index c1c3e3a57..2b514cd8d 100644 --- a/Code/DataStructs/BitVects.h +++ b/Code/DataStructs/BitVects.h @@ -12,7 +12,7 @@ \brief Pulls in all the BitVect classes */ -#include +#include #ifndef __BITVECTS_H__ #define __BITVECTS_H__ diff --git a/Code/DataStructs/DatastructsException.h b/Code/DataStructs/DatastructsException.h index 3bb84d59f..017907cc1 100644 --- a/Code/DataStructs/DatastructsException.h +++ b/Code/DataStructs/DatastructsException.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef _DATASTRUCTS_EXCEPTION_H_20050126 #define _DATASTRUCTS_EXCEPTION_H_20050126 diff --git a/Code/DataStructs/DiscreteDistMat.h b/Code/DataStructs/DiscreteDistMat.h index 6973ff7ce..4caff0d86 100644 --- a/Code/DataStructs/DiscreteDistMat.h +++ b/Code/DataStructs/DiscreteDistMat.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_DISCRETEDISTMAT_H__ #define __RD_DISCRETEDISTMAT_H__ #include "DiscreteValueVect.h" diff --git a/Code/DataStructs/DiscreteValueVect.h b/Code/DataStructs/DiscreteValueVect.h index 634a8c389..295fe1bf8 100644 --- a/Code/DataStructs/DiscreteValueVect.h +++ b/Code/DataStructs/DiscreteValueVect.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_DISCRETE_VALUE_VECT_20050124__ #define __RD_DISCRETE_VALUE_VECT_20050124__ diff --git a/Code/DataStructs/ExplicitBitVect.h b/Code/DataStructs/ExplicitBitVect.h index 0c333aca2..3b2ba8ffd 100644 --- a/Code/DataStructs/ExplicitBitVect.h +++ b/Code/DataStructs/ExplicitBitVect.h @@ -8,7 +8,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_EXPLICITBITVECTS_H__ #define __RD_EXPLICITBITVECTS_H__ diff --git a/Code/DataStructs/FPBReader.h b/Code/DataStructs/FPBReader.h index 7413b7df4..6cfbaaac3 100644 --- a/Code/DataStructs/FPBReader.h +++ b/Code/DataStructs/FPBReader.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_FPBREADER_H_DEC2015 #define RD_FPBREADER_H_DEC2015 /*! \file FPBReader.h diff --git a/Code/DataStructs/MultiFPBReader.h b/Code/DataStructs/MultiFPBReader.h index a8a2c1fc9..74f1483c8 100644 --- a/Code/DataStructs/MultiFPBReader.h +++ b/Code/DataStructs/MultiFPBReader.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_MULTIFPBREADER_H_APR2016 #define RD_MULTIFPBREADER_H_APR2016 /*! \file MultiFPBReader.h diff --git a/Code/DataStructs/SparseBitVect.h b/Code/DataStructs/SparseBitVect.h index 6364a59e8..bf23ea083 100644 --- a/Code/DataStructs/SparseBitVect.h +++ b/Code/DataStructs/SparseBitVect.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_SPARSEBITVECTS_H__ #define __RD_SPARSEBITVECTS_H__ diff --git a/Code/DataStructs/SparseIntVect.h b/Code/DataStructs/SparseIntVect.h index c449759a8..55263f5eb 100644 --- a/Code/DataStructs/SparseIntVect.h +++ b/Code/DataStructs/SparseIntVect.h @@ -8,7 +8,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_SPARSE_INT_VECT_20070921__ #define __RD_SPARSE_INT_VECT_20070921__ diff --git a/Code/DataStructs/Wrap/wrap_helpers.h b/Code/DataStructs/Wrap/wrap_helpers.h index 9b2be0def..653a6d35a 100644 --- a/Code/DataStructs/Wrap/wrap_helpers.h +++ b/Code/DataStructs/Wrap/wrap_helpers.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_WRAPHELPERS_H__ #define __RD_WRAPHELPERS_H__ diff --git a/Code/DataStructs/base64.h b/Code/DataStructs/base64.h index c3d562b8d..cf813a3a4 100644 --- a/Code/DataStructs/base64.h +++ b/Code/DataStructs/base64.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_BASE64_H__ #define __RD_BASE64_H__ /*! \file base64.h diff --git a/Code/DistGeom/BoundsMatrix.h b/Code/DistGeom/BoundsMatrix.h index 94519cd45..7e76800c2 100644 --- a/Code/DistGeom/BoundsMatrix.h +++ b/Code/DistGeom/BoundsMatrix.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_BOUNDS_MATRIX_H__ #define __RD_BOUNDS_MATRIX_H__ diff --git a/Code/DistGeom/ChiralSet.h b/Code/DistGeom/ChiralSet.h index 4e356a3cc..9acd38ea4 100644 --- a/Code/DistGeom/ChiralSet.h +++ b/Code/DistGeom/ChiralSet.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_CHIRAL_SET_H__ #define __RD_CHIRAL_SET_H__ diff --git a/Code/DistGeom/ChiralViolationContrib.h b/Code/DistGeom/ChiralViolationContrib.h index 708991b96..e11706ea2 100644 --- a/Code/DistGeom/ChiralViolationContrib.h +++ b/Code/DistGeom/ChiralViolationContrib.h @@ -1,7 +1,7 @@ // // Created by Santosh Putta, Nov 2006 // -#include +#include #ifndef __RD_CHIRALVIOLATIONCONTRIB_H__ #define __RD_CHIRALVIOLATIONCONTRIB_H__ diff --git a/Code/DistGeom/DistGeomUtils.h b/Code/DistGeom/DistGeomUtils.h index 283afad98..7a1098684 100644 --- a/Code/DistGeom/DistGeomUtils.h +++ b/Code/DistGeom/DistGeomUtils.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_DISTGEOMUTILS_H_ #define _RD_DISTGEOMUTILS_H_ diff --git a/Code/DistGeom/DistViolationContrib.h b/Code/DistGeom/DistViolationContrib.h index e324c88b9..82f1305ae 100644 --- a/Code/DistGeom/DistViolationContrib.h +++ b/Code/DistGeom/DistViolationContrib.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_DISTVIOLATIONCONTRIB_H__ #define __RD_DISTVIOLATIONCONTRIB_H__ diff --git a/Code/DistGeom/FourthDimContrib.h b/Code/DistGeom/FourthDimContrib.h index 7cc79570c..50deb6035 100644 --- a/Code/DistGeom/FourthDimContrib.h +++ b/Code/DistGeom/FourthDimContrib.h @@ -1,7 +1,7 @@ // // Created by Santosh Putta, Nov 2006 // -#include +#include #ifndef __RD_FOURTHDIMCONTRIB_H__ #define __RD_FOURTHDIMCONTRIB_H__ diff --git a/Code/DistGeom/TriangleSmooth.h b/Code/DistGeom/TriangleSmooth.h index 8979ed66c..eb26f0f66 100644 --- a/Code/DistGeom/TriangleSmooth.h +++ b/Code/DistGeom/TriangleSmooth.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_TRIANGLE_SMOOTH_H__ #define __RD_TRIANGLE_SMOOTH_H__ diff --git a/Code/Features/Feature.h b/Code/Features/Feature.h index 81299f283..b40199a17 100644 --- a/Code/Features/Feature.h +++ b/Code/Features/Feature.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __FEATURE_H_30112004_1121__ #define __FEATURE_H_30112004_1121__ diff --git a/Code/ForceField/Contrib.h b/Code/ForceField/Contrib.h index 46fcfb8bb..165b735af 100644 --- a/Code/ForceField/Contrib.h +++ b/Code/ForceField/Contrib.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_FFCONTRIB_H__ #define __RD_FFCONTRIB_H__ diff --git a/Code/ForceField/ForceField.h b/Code/ForceField/ForceField.h index f151e1f56..f1175e5c9 100644 --- a/Code/ForceField/ForceField.h +++ b/Code/ForceField/ForceField.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_FORCEFIELD_H__ #define __RD_FORCEFIELD_H__ diff --git a/Code/ForceField/MMFF/AngleBend.h b/Code/ForceField/MMFF/AngleBend.h index 0a7954d4b..76628b2b0 100644 --- a/Code/ForceField/MMFF/AngleBend.h +++ b/Code/ForceField/MMFF/AngleBend.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFANGLEBEND_H__ #define __RD_MMFFANGLEBEND_H__ diff --git a/Code/ForceField/MMFF/AngleConstraint.h b/Code/ForceField/MMFF/AngleConstraint.h index da4d0f97e..3ed2b105c 100644 --- a/Code/ForceField/MMFF/AngleConstraint.h +++ b/Code/ForceField/MMFF/AngleConstraint.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFANGLECONSTRAINT_H__ #define __RD_MMFFANGLECONSTRAINT_H__ #include diff --git a/Code/ForceField/MMFF/BondStretch.h b/Code/ForceField/MMFF/BondStretch.h index c5914d72d..4122a8b0b 100644 --- a/Code/ForceField/MMFF/BondStretch.h +++ b/Code/ForceField/MMFF/BondStretch.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFBONDSTRETCH_H__ #define __RD_MMFFBONDSTRETCH_H__ #include diff --git a/Code/ForceField/MMFF/Contribs.h b/Code/ForceField/MMFF/Contribs.h index 9943b232a..d1fde8a3c 100644 --- a/Code/ForceField/MMFF/Contribs.h +++ b/Code/ForceField/MMFF/Contribs.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFCONTRIBS_H__ #define __RD_MMFFCONTRIBS_H__ /*! \file Contribs.h diff --git a/Code/ForceField/MMFF/DistanceConstraint.h b/Code/ForceField/MMFF/DistanceConstraint.h index 009ee0428..2e1a5c4f9 100644 --- a/Code/ForceField/MMFF/DistanceConstraint.h +++ b/Code/ForceField/MMFF/DistanceConstraint.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFDISTANCECONSTRAINT_H__ #define __RD_MMFFDISTANCECONSTRAINT_H__ #include diff --git a/Code/ForceField/MMFF/Nonbonded.h b/Code/ForceField/MMFF/Nonbonded.h index 685169088..108bc1baa 100644 --- a/Code/ForceField/MMFF/Nonbonded.h +++ b/Code/ForceField/MMFF/Nonbonded.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFNONBONDED_H__ #define __RD_MMFFNONBONDED_H__ #include diff --git a/Code/ForceField/MMFF/OopBend.h b/Code/ForceField/MMFF/OopBend.h index 3246379bd..1ef783f4c 100644 --- a/Code/ForceField/MMFF/OopBend.h +++ b/Code/ForceField/MMFF/OopBend.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFOopBend_H__ #define __RD_MMFFOopBend_H__ diff --git a/Code/ForceField/MMFF/Params.h b/Code/ForceField/MMFF/Params.h index 58a3bd0cc..a90acf310 100644 --- a/Code/ForceField/MMFF/Params.h +++ b/Code/ForceField/MMFF/Params.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFPARAMS_H__ #define __RD_MMFFPARAMS_H__ diff --git a/Code/ForceField/MMFF/PositionConstraint.h b/Code/ForceField/MMFF/PositionConstraint.h index 3316541ae..034aa6275 100644 --- a/Code/ForceField/MMFF/PositionConstraint.h +++ b/Code/ForceField/MMFF/PositionConstraint.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFPOSITIONCONSTRAINT_H__ #define __RD_MMFFPOSITIONCONSTRAINT_H__ #include diff --git a/Code/ForceField/MMFF/StretchBend.h b/Code/ForceField/MMFF/StretchBend.h index bf6427b0d..f28bb6bf3 100644 --- a/Code/ForceField/MMFF/StretchBend.h +++ b/Code/ForceField/MMFF/StretchBend.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFSTRETCHBEND_H__ #define __RD_MMFFSTRETCHBEND_H__ diff --git a/Code/ForceField/MMFF/TorsionAngle.h b/Code/ForceField/MMFF/TorsionAngle.h index 6e9276bd6..23258246d 100644 --- a/Code/ForceField/MMFF/TorsionAngle.h +++ b/Code/ForceField/MMFF/TorsionAngle.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFTORSIONANGLE_H__ #define __RD_MMFFTORSIONANGLE_H__ diff --git a/Code/ForceField/MMFF/TorsionConstraint.h b/Code/ForceField/MMFF/TorsionConstraint.h index 78ddb48b4..ca28da066 100644 --- a/Code/ForceField/MMFF/TorsionConstraint.h +++ b/Code/ForceField/MMFF/TorsionConstraint.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MMFFTORSIONCONSTRAINT_H__ #define __RD_MMFFTORSIONCONSTRAINT_H__ #include diff --git a/Code/ForceField/UFF/AngleBend.h b/Code/ForceField/UFF/AngleBend.h index ade875c74..c1eab6c1d 100644 --- a/Code/ForceField/UFF/AngleBend.h +++ b/Code/ForceField/UFF/AngleBend.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_ANGLEBEND_H__ #define __RD_ANGLEBEND_H__ diff --git a/Code/ForceField/UFF/AngleConstraint.h b/Code/ForceField/UFF/AngleConstraint.h index 24f4ebaa7..02a44716a 100644 --- a/Code/ForceField/UFF/AngleConstraint.h +++ b/Code/ForceField/UFF/AngleConstraint.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_UFFANGLECONSTRAINT_H__ #define __RD_UFFANGLECONSTRAINT_H__ #include diff --git a/Code/ForceField/UFF/BondStretch.h b/Code/ForceField/UFF/BondStretch.h index ed350af5a..3f9b0a1a5 100644 --- a/Code/ForceField/UFF/BondStretch.h +++ b/Code/ForceField/UFF/BondStretch.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_BONDSTRETCH_H__ #define __RD_BONDSTRETCH_H__ #include diff --git a/Code/ForceField/UFF/Contribs.h b/Code/ForceField/UFF/Contribs.h index 8011cb7e2..1eed9681a 100644 --- a/Code/ForceField/UFF/Contribs.h +++ b/Code/ForceField/UFF/Contribs.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_UFFCONTRIBS_H__ #define __RD_UFFCONTRIBS_H__ /*! \file Contribs.h diff --git a/Code/ForceField/UFF/DistanceConstraint.h b/Code/ForceField/UFF/DistanceConstraint.h index a7877b593..e184c53dc 100644 --- a/Code/ForceField/UFF/DistanceConstraint.h +++ b/Code/ForceField/UFF/DistanceConstraint.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_UFFDISTANCECONSTRAINT_H__ #define __RD_UFFDISTANCECONSTRAINT_H__ #include diff --git a/Code/ForceField/UFF/Inversion.h b/Code/ForceField/UFF/Inversion.h index dbac786fd..3142995bb 100644 --- a/Code/ForceField/UFF/Inversion.h +++ b/Code/ForceField/UFF/Inversion.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_UFFINVERSION_H__ #define __RD_UFFINVERSION_H__ #include diff --git a/Code/ForceField/UFF/Nonbonded.h b/Code/ForceField/UFF/Nonbonded.h index 223272ab8..d87ad62b8 100644 --- a/Code/ForceField/UFF/Nonbonded.h +++ b/Code/ForceField/UFF/Nonbonded.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_NONBONDED_H__ #define __RD_NONBONDED_H__ #include diff --git a/Code/ForceField/UFF/Params.h b/Code/ForceField/UFF/Params.h index cd104e56a..411b1a01c 100644 --- a/Code/ForceField/UFF/Params.h +++ b/Code/ForceField/UFF/Params.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_UFFPARAMS_H__ #define __RD_UFFPARAMS_H__ diff --git a/Code/ForceField/UFF/PositionConstraint.h b/Code/ForceField/UFF/PositionConstraint.h index b91b683a5..9e0617eee 100644 --- a/Code/ForceField/UFF/PositionConstraint.h +++ b/Code/ForceField/UFF/PositionConstraint.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_UFFPOSITIONCONSTRAINT_H__ #define __RD_UFFPOSITIONCONSTRAINT_H__ #include diff --git a/Code/ForceField/UFF/TorsionAngle.h b/Code/ForceField/UFF/TorsionAngle.h index e264b0756..240a6c95e 100644 --- a/Code/ForceField/UFF/TorsionAngle.h +++ b/Code/ForceField/UFF/TorsionAngle.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_TORSIONANGLE_H__ #define __RD_TORSIONANGLE_H__ diff --git a/Code/ForceField/UFF/TorsionConstraint.h b/Code/ForceField/UFF/TorsionConstraint.h index e054a797a..0e68f27f8 100644 --- a/Code/ForceField/UFF/TorsionConstraint.h +++ b/Code/ForceField/UFF/TorsionConstraint.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_UFFTORSIONCONSTRAINT_H__ #define __RD_UFFTORSIONCONSTRAINT_H__ #include diff --git a/Code/ForceField/Wrap/PyForceField.h b/Code/ForceField/Wrap/PyForceField.h index b3b20dfa8..582cd8cbb 100644 --- a/Code/ForceField/Wrap/PyForceField.h +++ b/Code/ForceField/Wrap/PyForceField.h @@ -8,7 +8,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #include #include #include diff --git a/Code/Geometry/Grid3D.h b/Code/Geometry/Grid3D.h index 09c89a2cd..ee2bdcd03 100644 --- a/Code/Geometry/Grid3D.h +++ b/Code/Geometry/Grid3D.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _GRID3D_H_20050124_1113 #define _GRID3D_H_20050124_1113 #include diff --git a/Code/Geometry/GridUtils.h b/Code/Geometry/GridUtils.h index a5039ba1e..a7ec4b04c 100644 --- a/Code/Geometry/GridUtils.h +++ b/Code/Geometry/GridUtils.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _GRIDUTILS_H_20050126 #define _GRIDUTILS_H_20050126 diff --git a/Code/Geometry/Transform.h b/Code/Geometry/Transform.h index 78c192b19..401250e86 100644 --- a/Code/Geometry/Transform.h +++ b/Code/Geometry/Transform.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_TRANSFORM_H__ #define __RD_TRANSFORM_H__ diff --git a/Code/Geometry/Transform2D.h b/Code/Geometry/Transform2D.h index cb91bb8d1..099c42c76 100644 --- a/Code/Geometry/Transform2D.h +++ b/Code/Geometry/Transform2D.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_TRANSFORM2D_H__ #define __RD_TRANSFORM2D_H__ diff --git a/Code/Geometry/Transform3D.h b/Code/Geometry/Transform3D.h index dff4a4229..4f21e7892 100644 --- a/Code/Geometry/Transform3D.h +++ b/Code/Geometry/Transform3D.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_TRANSFORM3D_H__ #define __RD_TRANSFORM3D_H__ diff --git a/Code/Geometry/UniformGrid3D.h b/Code/Geometry/UniformGrid3D.h index 74913888f..b6f2304f9 100644 --- a/Code/Geometry/UniformGrid3D.h +++ b/Code/Geometry/UniformGrid3D.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _UNIFORMGRID3D_H_20050124_1703 #define _UNIFORMGRID3D_H_20050124_1703 diff --git a/Code/Geometry/Utils.h b/Code/Geometry/Utils.h index 5f8e5d29e..002f4ddf9 100644 --- a/Code/Geometry/Utils.h +++ b/Code/Geometry/Utils.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_DIST_UTILS_H__ #define __RD_DIST_UTILS_H__ diff --git a/Code/Geometry/point.h b/Code/Geometry/point.h index 4d4db12c6..34d22704a 100644 --- a/Code/Geometry/point.h +++ b/Code/Geometry/point.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef __RD_POINT_H__ #define __RD_POINT_H__ #include diff --git a/Code/GraphMol/Atom.h b/Code/GraphMol/Atom.h index c791ca3f0..70c71c3d8 100644 --- a/Code/GraphMol/Atom.h +++ b/Code/GraphMol/Atom.h @@ -12,7 +12,7 @@ \brief Defines the Atom class and associated typedefs */ -#include +#include #ifndef _RD_ATOM_H #define _RD_ATOM_H diff --git a/Code/GraphMol/AtomIterators.h b/Code/GraphMol/AtomIterators.h index 447c58c63..c10759441 100644 --- a/Code/GraphMol/AtomIterators.h +++ b/Code/GraphMol/AtomIterators.h @@ -14,7 +14,7 @@ WARNING: If you go changing the molecule underneath one of these iterators you will be sad... */ -#include +#include #ifndef __RD_ATOM_ITERATORS_H__ #define __RD_ATOM_ITERATORS_H__ diff --git a/Code/GraphMol/Basement/FeatTrees/FeatTree.h b/Code/GraphMol/Basement/FeatTrees/FeatTree.h index 31b8fc223..ac1b45e92 100644 --- a/Code/GraphMol/Basement/FeatTrees/FeatTree.h +++ b/Code/GraphMol/Basement/FeatTrees/FeatTree.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef _RD_FEATTREE_H_ #define _RD_FEATTREE_H_ diff --git a/Code/GraphMol/Basement/FeatTrees/FeatTreeUtils.h b/Code/GraphMol/Basement/FeatTrees/FeatTreeUtils.h index 109365cd9..c96b83520 100644 --- a/Code/GraphMol/Basement/FeatTrees/FeatTreeUtils.h +++ b/Code/GraphMol/Basement/FeatTrees/FeatTreeUtils.h @@ -15,7 +15,7 @@ from molecules. It's exposed here so that it can be tested. */ -#include +#include #ifndef _RD_FEATTREEUTILS_H_ #define _RD_FEATTREEUTILS_H_ diff --git a/Code/GraphMol/Bond.h b/Code/GraphMol/Bond.h index c922afb11..e8ea7549b 100644 --- a/Code/GraphMol/Bond.h +++ b/Code/GraphMol/Bond.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_BOND_H #define _RD_BOND_H diff --git a/Code/GraphMol/BondIterators.h b/Code/GraphMol/BondIterators.h index 346720548..eb9b920ac 100644 --- a/Code/GraphMol/BondIterators.h +++ b/Code/GraphMol/BondIterators.h @@ -14,7 +14,7 @@ WARNING: If you go changing the molecule underneath one of these iterators you will be sad... */ -#include +#include #ifndef _RD_BOND_ITERATORS_H #define _RD_BOND_ITERATORS_H diff --git a/Code/GraphMol/Canon.h b/Code/GraphMol/Canon.h index bc20e3b69..af34429dc 100644 --- a/Code/GraphMol/Canon.h +++ b/Code/GraphMol/Canon.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_CANON_H_ #define _RD_CANON_H_ diff --git a/Code/GraphMol/ChemReactions/Enumerate/CartesianProduct.h b/Code/GraphMol/ChemReactions/Enumerate/CartesianProduct.h index 1e0a163a7..edfa65d8b 100644 --- a/Code/GraphMol/ChemReactions/Enumerate/CartesianProduct.h +++ b/Code/GraphMol/ChemReactions/Enumerate/CartesianProduct.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef CARTESIANPRODUCT_H #define CARTESIANPRODUCT_H diff --git a/Code/GraphMol/ChemReactions/Enumerate/Enumerate.h b/Code/GraphMol/ChemReactions/Enumerate/Enumerate.h index 2907740fa..48e508a9a 100644 --- a/Code/GraphMol/ChemReactions/Enumerate/Enumerate.h +++ b/Code/GraphMol/ChemReactions/Enumerate/Enumerate.h @@ -29,7 +29,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.n // -#include +#include #ifndef RDKIT_ENUMERATE_H #define RDKIT_ENUMERATE_H #include "EnumerateBase.h" diff --git a/Code/GraphMol/ChemReactions/Enumerate/EnumerateBase.h b/Code/GraphMol/ChemReactions/Enumerate/EnumerateBase.h index da7c72241..1cfdc8cd7 100644 --- a/Code/GraphMol/ChemReactions/Enumerate/EnumerateBase.h +++ b/Code/GraphMol/ChemReactions/Enumerate/EnumerateBase.h @@ -29,7 +29,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_ENUMERATEBASE_H #define RDKIT_ENUMERATEBASE_H diff --git a/Code/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h b/Code/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h index e0602109e..6a2a901eb 100644 --- a/Code/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h +++ b/Code/GraphMol/ChemReactions/Enumerate/EnumerateTypes.h @@ -29,7 +29,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef ENUMERATETYPES_H #define ENUMERATETYPES_H diff --git a/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h b/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h index 81cfc9877..4b46df294 100644 --- a/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h +++ b/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.h @@ -29,7 +29,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef ENUMERATIONPICKLER_H #define ENUMERATIONPICKLER_H diff --git a/Code/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h b/Code/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h index 8e0eaca95..6df7231e6 100644 --- a/Code/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h +++ b/Code/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h @@ -29,7 +29,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef ENUMERATION_STRATEGY_H #define ENUMERATION_STRATEGY_H diff --git a/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.h b/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.h index 733385b8c..ce126644c 100644 --- a/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.h +++ b/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RGROUP_EVEN_SAMPLE_H #define RGROUP_EVEN_SAMPLE_H diff --git a/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h b/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h index adbb6da42..4b7da3f6f 100644 --- a/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h +++ b/Code/GraphMol/ChemReactions/Enumerate/RandomSample.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RGROUP_RANDOM_SAMPLE_H #define RGROUP_RANDOM_SAMPLE_H diff --git a/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h b/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h index f9deea002..dbd6e3712 100644 --- a/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h +++ b/Code/GraphMol/ChemReactions/Enumerate/RandomSampleAllBBs.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RGROUP_RANDOM_SAMPLE_ALLBBS_H #define RGROUP_RANDOM_SAMPLE_ALLBBS_H diff --git a/Code/GraphMol/ChemReactions/PreprocessRxn.h b/Code/GraphMol/ChemReactions/PreprocessRxn.h index 8200f3246..4ca8479e6 100644 --- a/Code/GraphMol/ChemReactions/PreprocessRxn.h +++ b/Code/GraphMol/ChemReactions/PreprocessRxn.h @@ -29,7 +29,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_PREPROCESS_RXN_H #define RDKIT_PREPROCESS_RXN_H diff --git a/Code/GraphMol/ChemReactions/Reaction.h b/Code/GraphMol/ChemReactions/Reaction.h index 186bb0a24..50ee3f6a4 100644 --- a/Code/GraphMol/ChemReactions/Reaction.h +++ b/Code/GraphMol/ChemReactions/Reaction.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RD_REACTION_H_17Aug2006 #define RD_REACTION_H_17Aug2006 diff --git a/Code/GraphMol/ChemReactions/ReactionFingerprints.h b/Code/GraphMol/ChemReactions/ReactionFingerprints.h index aded74b8b..112fb1c63 100644 --- a/Code/GraphMol/ChemReactions/ReactionFingerprints.h +++ b/Code/GraphMol/ChemReactions/ReactionFingerprints.h @@ -29,7 +29,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RD_REACTIONFINGERPRINTS_H #define RD_REACTIONFINGERPRINTS_H diff --git a/Code/GraphMol/ChemReactions/ReactionParser.h b/Code/GraphMol/ChemReactions/ReactionParser.h index c111e7c40..859994b40 100644 --- a/Code/GraphMol/ChemReactions/ReactionParser.h +++ b/Code/GraphMol/ChemReactions/ReactionParser.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef __RD_REACTIONPARSER_H_21Aug2006__ #define __RD_REACTIONPARSER_H_21Aug2006__ diff --git a/Code/GraphMol/ChemReactions/ReactionPickler.h b/Code/GraphMol/ChemReactions/ReactionPickler.h index f9c474451..30ed6487f 100644 --- a/Code/GraphMol/ChemReactions/ReactionPickler.h +++ b/Code/GraphMol/ChemReactions/ReactionPickler.h @@ -8,7 +8,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_RXNPICKLE_H_2JUNE2009 #define RD_RXNPICKLE_H_2JUNE2009 diff --git a/Code/GraphMol/ChemReactions/ReactionRunner.h b/Code/GraphMol/ChemReactions/ReactionRunner.h index 5fe92b899..116e72393 100644 --- a/Code/GraphMol/ChemReactions/ReactionRunner.h +++ b/Code/GraphMol/ChemReactions/ReactionRunner.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RD_REACTION_RUNNER_H #define RD_REACTION_RUNNER_H diff --git a/Code/GraphMol/ChemReactions/ReactionUtils.h b/Code/GraphMol/ChemReactions/ReactionUtils.h index d4cfadea9..203f5e4c6 100644 --- a/Code/GraphMol/ChemReactions/ReactionUtils.h +++ b/Code/GraphMol/ChemReactions/ReactionUtils.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef __RD_REACTION_UTILS_H #define __RD_REACTION_UTILS_H diff --git a/Code/GraphMol/ChemReactions/SanitizeRxn.h b/Code/GraphMol/ChemReactions/SanitizeRxn.h index 0643f011c..848c021c0 100644 --- a/Code/GraphMol/ChemReactions/SanitizeRxn.h +++ b/Code/GraphMol/ChemReactions/SanitizeRxn.h @@ -29,7 +29,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_SANITIZERXN_H #define RDKIT_SANITIZERXN_H diff --git a/Code/GraphMol/ChemTransforms/ChemTransforms.h b/Code/GraphMol/ChemTransforms/ChemTransforms.h index 2b27ef078..3056c7079 100644 --- a/Code/GraphMol/ChemTransforms/ChemTransforms.h +++ b/Code/GraphMol/ChemTransforms/ChemTransforms.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_CHEMTRANSFORMS_H__ #define _RD_CHEMTRANSFORMS_H__ diff --git a/Code/GraphMol/ChemTransforms/MolFragmenter.h b/Code/GraphMol/ChemTransforms/MolFragmenter.h index 8695f400a..4c0e8b4c0 100644 --- a/Code/GraphMol/ChemTransforms/MolFragmenter.h +++ b/Code/GraphMol/ChemTransforms/MolFragmenter.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_MOLFRAGMENTER_H__ #define _RD_MOLFRAGMENTER_H__ diff --git a/Code/GraphMol/Chirality.h b/Code/GraphMol/Chirality.h index 59a89a1b4..e4fc98abb 100644 --- a/Code/GraphMol/Chirality.h +++ b/Code/GraphMol/Chirality.h @@ -12,7 +12,7 @@ \brief Not intended for client-code use. */ -#include +#include #ifndef _RD_CHIRALITY_20AUG2008_H_ #define _RD_CHIRALITY_20AUG2008_H_ #include diff --git a/Code/GraphMol/Conformer.h b/Code/GraphMol/Conformer.h index 465710f1c..c2d1c62f2 100644 --- a/Code/GraphMol/Conformer.h +++ b/Code/GraphMol/Conformer.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_CONFORMER_H #define _RD_CONFORMER_H diff --git a/Code/GraphMol/Depictor/Basement/Depictor.h b/Code/GraphMol/Depictor/Basement/Depictor.h index 774cf8fe0..9ee4bbd37 100644 --- a/Code/GraphMol/Depictor/Basement/Depictor.h +++ b/Code/GraphMol/Depictor/Basement/Depictor.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_DEPICTOR_H_ #define _RD_DEPICTOR_H_ #include diff --git a/Code/GraphMol/Depictor/DepictUtils.h b/Code/GraphMol/Depictor/DepictUtils.h index 3b2caba0e..7acab9c89 100644 --- a/Code/GraphMol/Depictor/DepictUtils.h +++ b/Code/GraphMol/Depictor/DepictUtils.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_DEPICT_UTILS_H_ #define _RD_DEPICT_UTILS_H_ diff --git a/Code/GraphMol/Depictor/EmbeddedFrag.h b/Code/GraphMol/Depictor/EmbeddedFrag.h index 21723ea59..6c7243a61 100644 --- a/Code/GraphMol/Depictor/EmbeddedFrag.h +++ b/Code/GraphMol/Depictor/EmbeddedFrag.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_EMBEDDED_FRAG_H_ #define _RD_EMBEDDED_FRAG_H_ diff --git a/Code/GraphMol/Depictor/RDDepictor.h b/Code/GraphMol/Depictor/RDDepictor.h index 2e2f7d95c..e37becdf6 100644 --- a/Code/GraphMol/Depictor/RDDepictor.h +++ b/Code/GraphMol/Depictor/RDDepictor.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef RDDEPICTOR_H #define RDDEPICTOR_H diff --git a/Code/GraphMol/Descriptors/AUTOCORR2D.h b/Code/GraphMol/Descriptors/AUTOCORR2D.h index 42aa8631c..86372e06e 100644 --- a/Code/GraphMol/Descriptors/AUTOCORR2D.h +++ b/Code/GraphMol/Descriptors/AUTOCORR2D.h @@ -33,7 +33,7 @@ // // Created by Guillaume GODIN, 2016 -#include +#include #ifndef AUTOCORR2DRDKIT_H_SEPT2016 #define AUTOCORR2DRDKIT_H_SEPT2016 diff --git a/Code/GraphMol/Descriptors/AUTOCORR3D.h b/Code/GraphMol/Descriptors/AUTOCORR3D.h index 4e6e64701..08007e620 100644 --- a/Code/GraphMol/Descriptors/AUTOCORR3D.h +++ b/Code/GraphMol/Descriptors/AUTOCORR3D.h @@ -33,7 +33,7 @@ // // Created by Guillaume GODIN, 2016 -#include +#include #ifndef AUTOCORR3DRDKIT_H_SEPT2016 #define AUTOCORR3DRDKIT_H_SEPT2016 diff --git a/Code/GraphMol/Descriptors/ConnectivityDescriptors.h b/Code/GraphMol/Descriptors/ConnectivityDescriptors.h index 46176e128..c2113dba5 100644 --- a/Code/GraphMol/Descriptors/ConnectivityDescriptors.h +++ b/Code/GraphMol/Descriptors/ConnectivityDescriptors.h @@ -13,7 +13,7 @@ \brief Use MolDescriptors.h in client code. */ -#include +#include #ifndef __RD_CONNECTIVITYDESCRIPTORS_H__ #define __RD_CONNECTIVITYDESCRIPTORS_H__ diff --git a/Code/GraphMol/Descriptors/Crippen.h b/Code/GraphMol/Descriptors/Crippen.h index 35fe6c18e..a2cee9e23 100644 --- a/Code/GraphMol/Descriptors/Crippen.h +++ b/Code/GraphMol/Descriptors/Crippen.h @@ -13,7 +13,7 @@ \brief Use MolDescriptors.h in client code. */ -#include +#include #ifndef __RD_CRIPPEN_H__ #define __RD_CRIPPEN_H__ diff --git a/Code/GraphMol/Descriptors/Data3Ddescriptors.h b/Code/GraphMol/Descriptors/Data3Ddescriptors.h index b7f83dbbb..d09fe45ab 100644 --- a/Code/GraphMol/Descriptors/Data3Ddescriptors.h +++ b/Code/GraphMol/Descriptors/Data3Ddescriptors.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // // -#include +#include #ifndef DATA3DDESCRIPTORS_2017 #define DATA3DDESCRIPTORS_2017 diff --git a/Code/GraphMol/Descriptors/GETAWAY.h b/Code/GraphMol/Descriptors/GETAWAY.h index 2c98102d8..e8acd7f73 100644 --- a/Code/GraphMol/Descriptors/GETAWAY.h +++ b/Code/GraphMol/Descriptors/GETAWAY.h @@ -33,7 +33,7 @@ // // Created by Guillaume Godin 2016 -#include +#include #ifndef GETAWAYRDKIT_H_SEPT2016 #define GETAWAYRDKIT_H_SEPT2016 diff --git a/Code/GraphMol/Descriptors/Lipinski.h b/Code/GraphMol/Descriptors/Lipinski.h index 70874304c..e6c25d850 100644 --- a/Code/GraphMol/Descriptors/Lipinski.h +++ b/Code/GraphMol/Descriptors/Lipinski.h @@ -14,7 +14,7 @@ in client code. */ -#include +#include #ifndef __RD_LIPINSKI_H__ #define __RD_LIPINSKI_H__ #include "RegisterDescriptor.h" diff --git a/Code/GraphMol/Descriptors/MORSE.h b/Code/GraphMol/Descriptors/MORSE.h index 59d6a764c..29104d108 100644 --- a/Code/GraphMol/Descriptors/MORSE.h +++ b/Code/GraphMol/Descriptors/MORSE.h @@ -31,7 +31,7 @@ // // Created by MORSE by Guillaume Godin -#include +#include #ifndef MORSERDKIT_H_SEPT2016 #define MORSERDKIT_H_SEPT2016 diff --git a/Code/GraphMol/Descriptors/MQN.h b/Code/GraphMol/Descriptors/MQN.h index 9888012f4..d7d91306f 100644 --- a/Code/GraphMol/Descriptors/MQN.h +++ b/Code/GraphMol/Descriptors/MQN.h @@ -13,7 +13,7 @@ \brief Use MolDescriptors.h in client code. */ -#include +#include #ifndef __RD_MQN_H__ #define __RD_MQN_H__ diff --git a/Code/GraphMol/Descriptors/MolData3Ddescriptors.h b/Code/GraphMol/Descriptors/MolData3Ddescriptors.h index 945557a7c..f30c753a2 100644 --- a/Code/GraphMol/Descriptors/MolData3Ddescriptors.h +++ b/Code/GraphMol/Descriptors/MolData3Ddescriptors.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // // -#include +#include #ifndef MOLDATA3DDESCRIPTORS_2017 #define MOLDATA3DDESCRIPTORS_2017 diff --git a/Code/GraphMol/Descriptors/MolDescriptors.h b/Code/GraphMol/Descriptors/MolDescriptors.h index 9a63d5bf4..2bb3585ea 100644 --- a/Code/GraphMol/Descriptors/MolDescriptors.h +++ b/Code/GraphMol/Descriptors/MolDescriptors.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef _RD_MOLDESCRIPTORS_H_ #define _RD_MOLDESCRIPTORS_H_ diff --git a/Code/GraphMol/Descriptors/MolDescriptors3D.h b/Code/GraphMol/Descriptors/MolDescriptors3D.h index aee2c01ee..4640768e6 100644 --- a/Code/GraphMol/Descriptors/MolDescriptors3D.h +++ b/Code/GraphMol/Descriptors/MolDescriptors3D.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef RD_MOLDESCRIPTORS3D_H_SEPT2016 #define RD_MOLDESCRIPTORS3D_H_SEPT2016 diff --git a/Code/GraphMol/Descriptors/MolSurf.h b/Code/GraphMol/Descriptors/MolSurf.h index e87b5cd51..f2777d791 100644 --- a/Code/GraphMol/Descriptors/MolSurf.h +++ b/Code/GraphMol/Descriptors/MolSurf.h @@ -13,7 +13,7 @@ \brief Use MolDescriptors.h in client code. */ -#include +#include #ifndef __RD_MOLSURF_H__ #define __RD_MOLSURF_H__ diff --git a/Code/GraphMol/Descriptors/PBF.h b/Code/GraphMol/Descriptors/PBF.h index b73235647..556c7dfa2 100644 --- a/Code/GraphMol/Descriptors/PBF.h +++ b/Code/GraphMol/Descriptors/PBF.h @@ -40,7 +40,7 @@ // Created by Nicholas Firth, November 2011 // Modifications by Greg Landrum for inclusion in the RDKit core, September 2016 -#include +#include #ifndef PBFRDKIT_H_SEPT2016 #define PBFRDKIT_H_SEPT2016 diff --git a/Code/GraphMol/Descriptors/PMI.h b/Code/GraphMol/Descriptors/PMI.h index bbfb87b86..3e2d90e72 100644 --- a/Code/GraphMol/Descriptors/PMI.h +++ b/Code/GraphMol/Descriptors/PMI.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef PMI_H_SEPT2016 #define PMI_H_SEPT2016 diff --git a/Code/GraphMol/Descriptors/Property.h b/Code/GraphMol/Descriptors/Property.h index 0cf01d67e..9e63267a2 100644 --- a/Code/GraphMol/Descriptors/Property.h +++ b/Code/GraphMol/Descriptors/Property.h @@ -29,7 +29,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_PROPERTIES_H #define RDKIT_PROPERTIES_H diff --git a/Code/GraphMol/Descriptors/RDF.h b/Code/GraphMol/Descriptors/RDF.h index 5cd9457fb..8c0f82aa8 100644 --- a/Code/GraphMol/Descriptors/RDF.h +++ b/Code/GraphMol/Descriptors/RDF.h @@ -33,7 +33,7 @@ // // Created by Guillaume Godin 2016 -#include +#include #ifndef RDFRDKIT_H_SEPT2016 #define RDFRDKIT_H_SEPT2016 diff --git a/Code/GraphMol/Descriptors/RegisterDescriptor.h b/Code/GraphMol/Descriptors/RegisterDescriptor.h index 4932830f6..3cddd6b17 100644 --- a/Code/GraphMol/Descriptors/RegisterDescriptor.h +++ b/Code/GraphMol/Descriptors/RegisterDescriptor.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_REGISTER_DESCRIPTOR_H #define RDKIT_REGISTER_DESCRIPTOR_H diff --git a/Code/GraphMol/Descriptors/USRDescriptor.h b/Code/GraphMol/Descriptors/USRDescriptor.h index 79924e54b..2d484790b 100644 --- a/Code/GraphMol/Descriptors/USRDescriptor.h +++ b/Code/GraphMol/Descriptors/USRDescriptor.h @@ -35,7 +35,7 @@ \brief Contains the USR descriptor. Use MolDescriptors.h in client code. */ -#include +#include #ifndef __RD_USR_H__ #define __RD_USR_H__ diff --git a/Code/GraphMol/Descriptors/WHIM.h b/Code/GraphMol/Descriptors/WHIM.h index 40af9a5da..468cbfc32 100644 --- a/Code/GraphMol/Descriptors/WHIM.h +++ b/Code/GraphMol/Descriptors/WHIM.h @@ -33,7 +33,7 @@ // // Created by Guillaume GODIN -#include +#include #ifndef WHIMRDKIT_H_SEPT2016 #define WHIMRDKIT_H_SEPT2016 diff --git a/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h b/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h index cdb7be8b9..633e5ff6e 100644 --- a/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h +++ b/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_BOUNDS_MATRIX_BUILDER_H_ #define _RD_BOUNDS_MATRIX_BUILDER_H_ diff --git a/Code/GraphMol/DistGeomHelpers/Embedder.h b/Code/GraphMol/DistGeomHelpers/Embedder.h index 0fc251c28..67bc32fb3 100644 --- a/Code/GraphMol/DistGeomHelpers/Embedder.h +++ b/Code/GraphMol/DistGeomHelpers/Embedder.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef RD_EMBEDDER_H_GUARD #define RD_EMBEDDER_H_GUARD diff --git a/Code/GraphMol/FMCS/Composition2N.h b/Code/GraphMol/FMCS/Composition2N.h index cb00482e9..d35d5c84b 100644 --- a/Code/GraphMol/FMCS/Composition2N.h +++ b/Code/GraphMol/FMCS/Composition2N.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once namespace RDKit { namespace FMCS { diff --git a/Code/GraphMol/FMCS/DebugTrace.h b/Code/GraphMol/FMCS/DebugTrace.h index 58788ce34..17bb93cc4 100644 --- a/Code/GraphMol/FMCS/DebugTrace.h +++ b/Code/GraphMol/FMCS/DebugTrace.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include diff --git a/Code/GraphMol/FMCS/DuplicatedSeedCache.h b/Code/GraphMol/FMCS/DuplicatedSeedCache.h index 18a4b104f..63e6e56cf 100644 --- a/Code/GraphMol/FMCS/DuplicatedSeedCache.h +++ b/Code/GraphMol/FMCS/DuplicatedSeedCache.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include diff --git a/Code/GraphMol/FMCS/FMCS.h b/Code/GraphMol/FMCS/FMCS.h index bc5d4715f..c639ebc3d 100644 --- a/Code/GraphMol/FMCS/FMCS.h +++ b/Code/GraphMol/FMCS/FMCS.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include diff --git a/Code/GraphMol/FMCS/Graph.h b/Code/GraphMol/FMCS/Graph.h index a73886c88..ffbf224af 100644 --- a/Code/GraphMol/FMCS/Graph.h +++ b/Code/GraphMol/FMCS/Graph.h @@ -9,7 +9,7 @@ // // graph topology in terms of indeces in source molecule -#include +#include #pragma once #include diff --git a/Code/GraphMol/FMCS/MatchTable.h b/Code/GraphMol/FMCS/MatchTable.h index 85b9d6139..280fa4929 100644 --- a/Code/GraphMol/FMCS/MatchTable.h +++ b/Code/GraphMol/FMCS/MatchTable.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include diff --git a/Code/GraphMol/FMCS/MaximumCommonSubgraph.h b/Code/GraphMol/FMCS/MaximumCommonSubgraph.h index 6d6b48c3c..67b1c0bab 100644 --- a/Code/GraphMol/FMCS/MaximumCommonSubgraph.h +++ b/Code/GraphMol/FMCS/MaximumCommonSubgraph.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include diff --git a/Code/GraphMol/FMCS/RingMatchTableSet.h b/Code/GraphMol/FMCS/RingMatchTableSet.h index c433dcf6c..80d4f41e8 100644 --- a/Code/GraphMol/FMCS/RingMatchTableSet.h +++ b/Code/GraphMol/FMCS/RingMatchTableSet.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #include #include #include diff --git a/Code/GraphMol/FMCS/Seed.h b/Code/GraphMol/FMCS/Seed.h index 4de3c3d5e..ea1b54154 100644 --- a/Code/GraphMol/FMCS/Seed.h +++ b/Code/GraphMol/FMCS/Seed.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include "../RDKitBase.h" diff --git a/Code/GraphMol/FMCS/SeedSet.h b/Code/GraphMol/FMCS/SeedSet.h index f4a23f4e6..75f00909d 100644 --- a/Code/GraphMol/FMCS/SeedSet.h +++ b/Code/GraphMol/FMCS/SeedSet.h @@ -8,7 +8,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include diff --git a/Code/GraphMol/FMCS/SubstructMatchCustom.h b/Code/GraphMol/FMCS/SubstructMatchCustom.h index 3d15689ac..d0842f09a 100644 --- a/Code/GraphMol/FMCS/SubstructMatchCustom.h +++ b/Code/GraphMol/FMCS/SubstructMatchCustom.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include "FMCS.h" diff --git a/Code/GraphMol/FMCS/SubstructureCache.h b/Code/GraphMol/FMCS/SubstructureCache.h index f6a1d30f9..83e478754 100644 --- a/Code/GraphMol/FMCS/SubstructureCache.h +++ b/Code/GraphMol/FMCS/SubstructureCache.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include diff --git a/Code/GraphMol/FMCS/Target.h b/Code/GraphMol/FMCS/Target.h index 28eeb6d34..220806e6a 100644 --- a/Code/GraphMol/FMCS/Target.h +++ b/Code/GraphMol/FMCS/Target.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include diff --git a/Code/GraphMol/FMCS/TargetMatch.h b/Code/GraphMol/FMCS/TargetMatch.h index 1fd0c0510..fb2cd5f31 100644 --- a/Code/GraphMol/FMCS/TargetMatch.h +++ b/Code/GraphMol/FMCS/TargetMatch.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include "FMCS.h" diff --git a/Code/GraphMol/FileParsers/FileParserUtils.h b/Code/GraphMol/FileParsers/FileParserUtils.h index 90d983efa..53a27aa89 100644 --- a/Code/GraphMol/FileParsers/FileParserUtils.h +++ b/Code/GraphMol/FileParsers/FileParserUtils.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_FILEPARSERUTILS_H #define _RD_FILEPARSERUTILS_H diff --git a/Code/GraphMol/FileParsers/FileParsers.h b/Code/GraphMol/FileParsers/FileParsers.h index 90fbed5e2..6e46b00e0 100644 --- a/Code/GraphMol/FileParsers/FileParsers.h +++ b/Code/GraphMol/FileParsers/FileParsers.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_FILEPARSERS_H #define _RD_FILEPARSERS_H diff --git a/Code/GraphMol/FileParsers/MolFileStereochem.h b/Code/GraphMol/FileParsers/MolFileStereochem.h index 2ad4fb6ea..9353ea839 100644 --- a/Code/GraphMol/FileParsers/MolFileStereochem.h +++ b/Code/GraphMol/FileParsers/MolFileStereochem.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_MOL_FILE_STEREOCHEM_H #define RD_MOL_FILE_STEREOCHEM_H diff --git a/Code/GraphMol/FileParsers/MolSupplier.h b/Code/GraphMol/FileParsers/MolSupplier.h index 7c430b20f..c265c6f5e 100644 --- a/Code/GraphMol/FileParsers/MolSupplier.h +++ b/Code/GraphMol/FileParsers/MolSupplier.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_MOLSUPPLIER_H #define _RD_MOLSUPPLIER_H diff --git a/Code/GraphMol/FileParsers/MolWriters.h b/Code/GraphMol/FileParsers/MolWriters.h index c04158bf5..89bf60353 100644 --- a/Code/GraphMol/FileParsers/MolWriters.h +++ b/Code/GraphMol/FileParsers/MolWriters.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef _RD_MOLWRITERS_H_ #define _RD_MOLWRITERS_H_ diff --git a/Code/GraphMol/FileParsers/ProximityBonds.h b/Code/GraphMol/FileParsers/ProximityBonds.h index 33e47d628..812467489 100644 --- a/Code/GraphMol/FileParsers/ProximityBonds.h +++ b/Code/GraphMol/FileParsers/ProximityBonds.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_PROXIMITYBONDS_H_ #define _RD_PROXIMITYBONDS_H_ #include diff --git a/Code/GraphMol/FileParsers/SequenceParsers.h b/Code/GraphMol/FileParsers/SequenceParsers.h index f28074c6d..65693446b 100644 --- a/Code/GraphMol/FileParsers/SequenceParsers.h +++ b/Code/GraphMol/FileParsers/SequenceParsers.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_SEQUENCEPARSE_H_ #define _RD_SEQUENCEPARSE_H_ #include diff --git a/Code/GraphMol/FileParsers/SequenceWriters.h b/Code/GraphMol/FileParsers/SequenceWriters.h index 3c04b79d4..90a3541f9 100644 --- a/Code/GraphMol/FileParsers/SequenceWriters.h +++ b/Code/GraphMol/FileParsers/SequenceWriters.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_SEQUENCEWRITE_H_ #define _RD_SEQUENCEWRITE_H_ #include diff --git a/Code/GraphMol/FilterCatalog/FilterCatalog.h b/Code/GraphMol/FilterCatalog/FilterCatalog.h index da9c0eb0e..74edb1d7d 100644 --- a/Code/GraphMol/FilterCatalog/FilterCatalog.h +++ b/Code/GraphMol/FilterCatalog/FilterCatalog.h @@ -29,7 +29,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef _RD_FILTER_CATALOG_PARAMS_ #define _RD_FILTER_CATALOG_PARAMS_ diff --git a/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h b/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h index dfdfc6dd8..8cfa7af00 100644 --- a/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h +++ b/Code/GraphMol/FilterCatalog/FilterCatalogEntry.h @@ -29,7 +29,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef __RD_FILTER_CATALOG_H__ #define __RD_FILTER_CATALOG_H__ diff --git a/Code/GraphMol/FilterCatalog/FilterMatcherBase.h b/Code/GraphMol/FilterCatalog/FilterMatcherBase.h index a36df28f6..44e6bf70e 100644 --- a/Code/GraphMol/FilterCatalog/FilterMatcherBase.h +++ b/Code/GraphMol/FilterCatalog/FilterMatcherBase.h @@ -29,7 +29,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef __RD_FILTER_MATCHER_BASE_H__ #define __RD_FILTER_MATCHER_BASE_H__ #include diff --git a/Code/GraphMol/FilterCatalog/FilterMatchers.h b/Code/GraphMol/FilterCatalog/FilterMatchers.h index ff5874f31..b4194da71 100644 --- a/Code/GraphMol/FilterCatalog/FilterMatchers.h +++ b/Code/GraphMol/FilterCatalog/FilterMatchers.h @@ -29,7 +29,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef __RD_FILTER_MATCHER_H__ #define __RD_FILTER_MATCHER_H__ #include diff --git a/Code/GraphMol/FilterCatalog/Filters.h b/Code/GraphMol/FilterCatalog/Filters.h index 625dc5589..8411519be 100644 --- a/Code/GraphMol/FilterCatalog/Filters.h +++ b/Code/GraphMol/FilterCatalog/Filters.h @@ -29,7 +29,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef __RDKIT_FILTERDATA__ #define __RDKIT_FILTERDATA__ diff --git a/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h b/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h index 4f30fa101..3edd8c4ac 100644 --- a/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h +++ b/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.h @@ -30,7 +30,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_FUNCTIONAL_GROUP_HIERARCHY_H #define RDKIT_FUNCTIONAL_GROUP_HIERARCHY_H #include "FilterCatalog.h" diff --git a/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.h b/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.h index 8526cbabf..d244c5223 100644 --- a/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.h +++ b/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.h @@ -28,7 +28,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef _RDFILTERCAT_INCL_ #define _RDFILTERCAT_INCL_ diff --git a/Code/GraphMol/Fingerprints/AtomPairs.h b/Code/GraphMol/Fingerprints/AtomPairs.h index 68b2b6d15..526f5df21 100644 --- a/Code/GraphMol/Fingerprints/AtomPairs.h +++ b/Code/GraphMol/Fingerprints/AtomPairs.h @@ -29,7 +29,7 @@ includeChirality is true. */ -#include +#include #ifndef __RD_ATOMPAIRS_H__ #define __RD_ATOMPAIRS_H__ diff --git a/Code/GraphMol/Fingerprints/Fingerprints.h b/Code/GraphMol/Fingerprints/Fingerprints.h index 88d07c844..9c9f1fe74 100644 --- a/Code/GraphMol/Fingerprints/Fingerprints.h +++ b/Code/GraphMol/Fingerprints/Fingerprints.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_FINGERPRINTS_H_ #define _RD_FINGERPRINTS_H_ diff --git a/Code/GraphMol/Fingerprints/MACCS.h b/Code/GraphMol/Fingerprints/MACCS.h index 534bc02a4..4931d913b 100644 --- a/Code/GraphMol/Fingerprints/MACCS.h +++ b/Code/GraphMol/Fingerprints/MACCS.h @@ -1,7 +1,7 @@ /*! \file MACCS.h */ -#include +#include #ifndef __RD_MACCSFPS_H__ #define __RD_MACCSFPS_H__ #include diff --git a/Code/GraphMol/Fingerprints/MorganFingerprints.h b/Code/GraphMol/Fingerprints/MorganFingerprints.h index 3109a7b1e..e2521db6c 100644 --- a/Code/GraphMol/Fingerprints/MorganFingerprints.h +++ b/Code/GraphMol/Fingerprints/MorganFingerprints.h @@ -37,7 +37,7 @@ /*! \file MorganFingerprints.h */ -#include +#include #ifndef __RD_MORGANFPS_H__ #define __RD_MORGANFPS_H__ diff --git a/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h b/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h index aaff2c524..029565156 100644 --- a/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h +++ b/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_TORSIONANGLEM6_H #define RD_TORSIONANGLEM6_H diff --git a/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h b/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h index 5add85c01..5c0c670de 100644 --- a/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h +++ b/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_TORSIONPREFERENCES_H_ #define _RD_TORSIONPREFERENCES_H_ #include diff --git a/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h b/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h index be30cfd40..fe8fb1639 100644 --- a/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h +++ b/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_MMFFATOMTYPER_H__ #define _RD_MMFFATOMTYPER_H__ diff --git a/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h b/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h index 858ff8079..1342db51d 100644 --- a/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h +++ b/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.h @@ -9,7 +9,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_MMFFBUILDER_H #define RD_MMFFBUILDER_H diff --git a/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h b/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h index fee614f3e..71e6934e5 100644 --- a/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h +++ b/Code/GraphMol/ForceFieldHelpers/MMFF/MMFF.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_MMFFCONVENIENCE_H #define RD_MMFFCONVENIENCE_H #include diff --git a/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h b/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h index ba3a64900..944350160 100644 --- a/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h +++ b/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_UFFATOMTYPER_H__ #define _RD_UFFATOMTYPER_H__ diff --git a/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h b/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h index 37b3506cc..7906feafb 100644 --- a/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h +++ b/Code/GraphMol/ForceFieldHelpers/UFF/Builder.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_UFFBUILDER_H #define RD_UFFBUILDER_H diff --git a/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h b/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h index adb572740..0870bd50f 100644 --- a/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h +++ b/Code/GraphMol/ForceFieldHelpers/UFF/UFF.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_UFFCONVENIENCE_H #define RD_UFFCONVENIENCE_H #include diff --git a/Code/GraphMol/FragCatalog/FragCatGenerator.h b/Code/GraphMol/FragCatalog/FragCatGenerator.h index c09dd493a..321844250 100644 --- a/Code/GraphMol/FragCatalog/FragCatGenerator.h +++ b/Code/GraphMol/FragCatalog/FragCatGenerator.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_FRAG_CAT_GENERATOR_H #define RD_FRAG_CAT_GENERATOR_H diff --git a/Code/GraphMol/FragCatalog/FragCatParams.h b/Code/GraphMol/FragCatalog/FragCatParams.h index de4008c84..52bd9e9d3 100644 --- a/Code/GraphMol/FragCatalog/FragCatParams.h +++ b/Code/GraphMol/FragCatalog/FragCatParams.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_FRAG_CAT_PARAMS_H_ #define _RD_FRAG_CAT_PARAMS_H_ diff --git a/Code/GraphMol/FragCatalog/FragCatalogEntry.h b/Code/GraphMol/FragCatalog/FragCatalogEntry.h index 42b40a459..c0d94a808 100644 --- a/Code/GraphMol/FragCatalog/FragCatalogEntry.h +++ b/Code/GraphMol/FragCatalog/FragCatalogEntry.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_FRAGCATALOGENTRY_H_ #define _RD_FRAGCATALOGENTRY_H_ diff --git a/Code/GraphMol/FragCatalog/FragCatalogUtils.h b/Code/GraphMol/FragCatalog/FragCatalogUtils.h index 662949310..608d94529 100644 --- a/Code/GraphMol/FragCatalog/FragCatalogUtils.h +++ b/Code/GraphMol/FragCatalog/FragCatalogUtils.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_FRAG_CATALOG_UTILS_H_ #define _RD_FRAG_CATALOG_UTILS_H_ diff --git a/Code/GraphMol/FragCatalog/FragFPGenerator.h b/Code/GraphMol/FragCatalog/FragFPGenerator.h index 260eb143e..f9a2f794f 100644 --- a/Code/GraphMol/FragCatalog/FragFPGenerator.h +++ b/Code/GraphMol/FragCatalog/FragFPGenerator.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_FRAG_FP_GENERATOR_H_ #define _RD_FRAG_FP_GENERATOR_H_ diff --git a/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.h b/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.h index 86254fb6d..b835200a0 100644 --- a/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.h +++ b/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RDFRAGCAT_INCL_ #define _RDFRAGCAT_INCL_ diff --git a/Code/GraphMol/GraphMol.h b/Code/GraphMol/GraphMol.h index 28aecce8d..66ed8e752 100644 --- a/Code/GraphMol/GraphMol.h +++ b/Code/GraphMol/GraphMol.h @@ -12,7 +12,7 @@ \brief pulls in RWMol and ROMol */ -#include +#include #ifndef _GRAPH_MOL_H #define _GRAPH_MOL_H diff --git a/Code/GraphMol/MMPA/MMPA.h b/Code/GraphMol/MMPA/MMPA.h index 8920457f0..909a43447 100644 --- a/Code/GraphMol/MMPA/MMPA.h +++ b/Code/GraphMol/MMPA/MMPA.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include diff --git a/Code/GraphMol/MolAlign/AlignMolecules.h b/Code/GraphMol/MolAlign/AlignMolecules.h index 06491afaf..74f93a2c5 100644 --- a/Code/GraphMol/MolAlign/AlignMolecules.h +++ b/Code/GraphMol/MolAlign/AlignMolecules.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_ALIGNMOLECULES_H_ #define _RD_ALIGNMOLECULES_H_ diff --git a/Code/GraphMol/MolAlign/O3AAlignMolecules.h b/Code/GraphMol/MolAlign/O3AAlignMolecules.h index 0de7e0b61..42edc86a1 100644 --- a/Code/GraphMol/MolAlign/O3AAlignMolecules.h +++ b/Code/GraphMol/MolAlign/O3AAlignMolecules.h @@ -8,7 +8,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_O3AALIGNMOLECULES_H_ #define _RD_O3AALIGNMOLECULES_H_ diff --git a/Code/GraphMol/MolBundle.h b/Code/GraphMol/MolBundle.h index f144576a3..7653b8b83 100644 --- a/Code/GraphMol/MolBundle.h +++ b/Code/GraphMol/MolBundle.h @@ -13,7 +13,7 @@ */ -#include +#include #ifndef RD_MOLBUNDLE_AUG2017 #define RD_MOLBUNDLE_AUG2017 diff --git a/Code/GraphMol/MolCatalog/MolCatalog.h b/Code/GraphMol/MolCatalog/MolCatalog.h index b782986cd..a6da21575 100644 --- a/Code/GraphMol/MolCatalog/MolCatalog.h +++ b/Code/GraphMol/MolCatalog/MolCatalog.h @@ -2,7 +2,7 @@ // Copyright (C) 2006 Greg Landrum // // -#include +#include #ifndef _RD_MOL_CATALOG_H_ #define _RD_MOL_CATALOG_H_ diff --git a/Code/GraphMol/MolCatalog/MolCatalogEntry.h b/Code/GraphMol/MolCatalog/MolCatalogEntry.h index de431f90e..1555d27cd 100644 --- a/Code/GraphMol/MolCatalog/MolCatalogEntry.h +++ b/Code/GraphMol/MolCatalog/MolCatalogEntry.h @@ -1,7 +1,7 @@ // // Copyright (C) 2006 Greg Landrum // -#include +#include #ifndef _RD_MOLCATALOGENTRY_H_ #define _RD_MOLCATALOGENTRY_H_ diff --git a/Code/GraphMol/MolCatalog/MolCatalogParams.h b/Code/GraphMol/MolCatalog/MolCatalogParams.h index a7594ed01..ea5c7065f 100644 --- a/Code/GraphMol/MolCatalog/MolCatalogParams.h +++ b/Code/GraphMol/MolCatalog/MolCatalogParams.h @@ -1,7 +1,7 @@ // // Copyright (C) 2006 Greg Landrum // -#include +#include #ifndef _RD_MOL_CATALOG_PARAMS_H_ #define _RD_MOL_CATALOG_PARAMS_H_ diff --git a/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.h b/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.h index 9fdc2d2e2..c0eb88a27 100644 --- a/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.h +++ b/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RDMOLCATALOG_WRAP_INCL_ #define _RDMOLCATALOG_WRAP_INCL_ diff --git a/Code/GraphMol/MolChemicalFeatures/FeatureParser.h b/Code/GraphMol/MolChemicalFeatures/FeatureParser.h index 0f0d66120..e992cbd30 100644 --- a/Code/GraphMol/MolChemicalFeatures/FeatureParser.h +++ b/Code/GraphMol/MolChemicalFeatures/FeatureParser.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __FEATUREPARSER_H_02122004_1810__ #define __FEATUREPARSER_H_02122004_1810__ diff --git a/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h b/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h index 82cd00d87..4d543780f 100644 --- a/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h +++ b/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __MOLCHEMICALFEATURE_H_11012005_1404__ #define __MOLCHEMICALFEATURE_H_11012005_1404__ diff --git a/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h b/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h index f75f5fec2..15d38a7ec 100644 --- a/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h +++ b/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __CHEMICALFEATUREDEF_H_02122004_1750__ #define __CHEMICALFEATUREDEF_H_02122004_1750__ diff --git a/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h b/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h index 397834ab0..e0344a3f8 100644 --- a/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h +++ b/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __CHEMICALFEATUREFACTORY_H_02122004_1545__ #define __CHEMICALFEATUREFACTORY_H_02122004_1545__ diff --git a/Code/GraphMol/MolDraw2D/MolDraw2D.h b/Code/GraphMol/MolDraw2D/MolDraw2D.h index 4e75064d0..fdd91f892 100644 --- a/Code/GraphMol/MolDraw2D/MolDraw2D.h +++ b/Code/GraphMol/MolDraw2D/MolDraw2D.h @@ -19,7 +19,7 @@ // library-specific drawing code such as drawing lines, writing strings // etc. -#include +#include #ifndef RDKITMOLDRAW2D_H #define RDKITMOLDRAW2D_H diff --git a/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h b/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h index 1d82bf34a..d6af83561 100644 --- a/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h +++ b/Code/GraphMol/MolDraw2D/MolDraw2DCairo.h @@ -12,7 +12,7 @@ // This is a concrete class derived from MolDraw2D that uses RDKit to draw a // molecule into a cairo drawing context -#include +#include #ifndef MOLDRAW2DCAIRO_H #define MOLDRAW2DCAIRO_H diff --git a/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h b/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h index c34b0fd70..e7eac9a00 100644 --- a/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h +++ b/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef RDKITMOLDRAW2DDETAILS_H #define RDKITMOLDRAW2DDETAILS_H diff --git a/Code/GraphMol/MolDraw2D/MolDraw2DQt.h b/Code/GraphMol/MolDraw2D/MolDraw2DQt.h index 27a34d629..12fb1bfed 100644 --- a/Code/GraphMol/MolDraw2D/MolDraw2DQt.h +++ b/Code/GraphMol/MolDraw2D/MolDraw2DQt.h @@ -10,7 +10,7 @@ // This is a concrete class derived from MolDraw2D that uses RDKit to draw a // molecule into a QPainter. -#include +#include #ifndef MOLDRAW2DQT_H #define MOLDRAW2DQT_H diff --git a/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h b/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h index bc7d71ff8..fe6521f84 100644 --- a/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h +++ b/Code/GraphMol/MolDraw2D/MolDraw2DSVG.h @@ -12,7 +12,7 @@ // This is a concrete class derived from MolDraw2D that uses RDKit to draw a // molecule into an SVG file -#include +#include #ifndef MOLDRAW2DSVG_H #define MOLDRAW2DSVG_H diff --git a/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h b/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h index 0c1ab6063..1eebc9153 100644 --- a/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h +++ b/Code/GraphMol/MolDraw2D/MolDraw2DUtils.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef MOLDRAW2DUTILS_H #define MOLDRAW2DUTILS_H #include diff --git a/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h b/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h index 07e1027eb..c6cc8cce0 100644 --- a/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h +++ b/Code/GraphMol/MolDraw2D/MolDraw2Dwx.h @@ -10,7 +10,7 @@ // This is a concrete class derived from MolDraw2D that uses RDKit to draw a // molecule into a wxDC -#include +#include #ifndef MOLDRAW2DWX_H #define MOLDRAW2DWX_H diff --git a/Code/GraphMol/MolDraw2D/MultiMolDraw2D.h b/Code/GraphMol/MolDraw2D/MultiMolDraw2D.h index 3e9fba149..b7d918e89 100644 --- a/Code/GraphMol/MolDraw2D/MultiMolDraw2D.h +++ b/Code/GraphMol/MolDraw2D/MultiMolDraw2D.h @@ -7,7 +7,7 @@ // of the RDKit source tree. // -#include +#include #ifndef RDKITMULTIMOLDRAW2D_H #define RDKITMULTIMOLDRAW2D_H diff --git a/Code/GraphMol/MolDrawing/DrawingToCairo.h b/Code/GraphMol/MolDrawing/DrawingToCairo.h index f340669d9..c7d4ad5e8 100644 --- a/Code/GraphMol/MolDrawing/DrawingToCairo.h +++ b/Code/GraphMol/MolDrawing/DrawingToCairo.h @@ -16,7 +16,7 @@ $(shell pkg-config --libs cairo) */ -#include +#include #ifndef _RD_DRAWING_TO_CAIRO_H_ #define _RD_DRAWING_TO_CAIRO_H_ diff --git a/Code/GraphMol/MolDrawing/DrawingToSVG.h b/Code/GraphMol/MolDrawing/DrawingToSVG.h index 69412d877..575ba538c 100644 --- a/Code/GraphMol/MolDrawing/DrawingToSVG.h +++ b/Code/GraphMol/MolDrawing/DrawingToSVG.h @@ -32,7 +32,7 @@ * OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. */ -#include +#include #ifndef _RD_DRAWING_TO_SVG_H_ #define _RD_DRAWING_TO_SVG_H_ diff --git a/Code/GraphMol/MolDrawing/MolDrawing.h b/Code/GraphMol/MolDrawing/MolDrawing.h index be5172654..29b5fe563 100644 --- a/Code/GraphMol/MolDrawing/MolDrawing.h +++ b/Code/GraphMol/MolDrawing/MolDrawing.h @@ -10,7 +10,7 @@ // // Includes contributions from Dave Cosgrove (davidacosgroveaz@gmail.com) // -#include +#include #ifndef _RD_MOLDRAWING_H_ #define _RD_MOLDRAWING_H_ diff --git a/Code/GraphMol/MolHash/MolHash.h b/Code/GraphMol/MolHash/MolHash.h index b369e8928..6b812ad26 100644 --- a/Code/GraphMol/MolHash/MolHash.h +++ b/Code/GraphMol/MolHash/MolHash.h @@ -8,7 +8,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include #include diff --git a/Code/GraphMol/MolInterchange/MolInterchange.h b/Code/GraphMol/MolInterchange/MolInterchange.h index cd987f699..3d09f9598 100644 --- a/Code/GraphMol/MolInterchange/MolInterchange.h +++ b/Code/GraphMol/MolInterchange/MolInterchange.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_MOLINTERCHANGE_H_JAN2018 #define RD_MOLINTERCHANGE_H_JAN2018 diff --git a/Code/GraphMol/MolInterchange/details.h b/Code/GraphMol/MolInterchange/details.h index 6c07bbb71..7bb9ea5ba 100644 --- a/Code/GraphMol/MolInterchange/details.h +++ b/Code/GraphMol/MolInterchange/details.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_MOLINTERCHANGEDETAILS_H_FEB2018 #define RD_MOLINTERCHANGEDETAILS_H_FEB2018 #include diff --git a/Code/GraphMol/MolOps.h b/Code/GraphMol/MolOps.h index fdc12eaf1..9dc56a4e8 100644 --- a/Code/GraphMol/MolOps.h +++ b/Code/GraphMol/MolOps.h @@ -8,7 +8,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_MOL_OPS_H_ #define _RD_MOL_OPS_H_ diff --git a/Code/GraphMol/MolPickler.h b/Code/GraphMol/MolPickler.h index 3f6a3e884..1532df429 100644 --- a/Code/GraphMol/MolPickler.h +++ b/Code/GraphMol/MolPickler.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_MOLPICKLE_H #define _RD_MOLPICKLE_H diff --git a/Code/GraphMol/MolTransforms/MolTransforms.h b/Code/GraphMol/MolTransforms/MolTransforms.h index 632890e12..0e2b249e2 100644 --- a/Code/GraphMol/MolTransforms/MolTransforms.h +++ b/Code/GraphMol/MolTransforms/MolTransforms.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_MOLTRANSFORMS_H_ #define _RD_MOLTRANSFORMS_H_ diff --git a/Code/GraphMol/MonomerInfo.h b/Code/GraphMol/MonomerInfo.h index b858ff838..4019ddd66 100644 --- a/Code/GraphMol/MonomerInfo.h +++ b/Code/GraphMol/MonomerInfo.h @@ -12,7 +12,7 @@ \brief Defines Monomer information classes */ -#include +#include #ifndef _RD_MONOMERINFO_H #define _RD_MONOMERINFO_H diff --git a/Code/GraphMol/PartialCharges/GasteigerCharges.h b/Code/GraphMol/PartialCharges/GasteigerCharges.h index bddc9dac1..575c18b8c 100644 --- a/Code/GraphMol/PartialCharges/GasteigerCharges.h +++ b/Code/GraphMol/PartialCharges/GasteigerCharges.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_GASTEIGERCHARGES_H #define _RD_GASTEIGERCHARGES_H diff --git a/Code/GraphMol/PartialCharges/GasteigerParams.h b/Code/GraphMol/PartialCharges/GasteigerParams.h index f5a8fa0d6..2b084f86d 100644 --- a/Code/GraphMol/PartialCharges/GasteigerParams.h +++ b/Code/GraphMol/PartialCharges/GasteigerParams.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_GASTEIGERPARAMS_H #define _RD_GASTEIGERPARAMS_H diff --git a/Code/GraphMol/PeriodicTable.h b/Code/GraphMol/PeriodicTable.h index c86ce68a3..23e5ace3d 100644 --- a/Code/GraphMol/PeriodicTable.h +++ b/Code/GraphMol/PeriodicTable.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_PERIODIC_TABLE_H #define _RD_PERIODIC_TABLE_H diff --git a/Code/GraphMol/QueryAtom.h b/Code/GraphMol/QueryAtom.h index e14bda103..b49b4fa8e 100644 --- a/Code/GraphMol/QueryAtom.h +++ b/Code/GraphMol/QueryAtom.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_QUERYATOM_H_ #define _RD_QUERYATOM_H_ diff --git a/Code/GraphMol/QueryBond.h b/Code/GraphMol/QueryBond.h index f9b834562..4fe2162da 100644 --- a/Code/GraphMol/QueryBond.h +++ b/Code/GraphMol/QueryBond.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_QUERYBOND_H #define _RD_QUERYBOND_H diff --git a/Code/GraphMol/QueryOps.h b/Code/GraphMol/QueryOps.h index 18928a9c2..b4fe55b29 100644 --- a/Code/GraphMol/QueryOps.h +++ b/Code/GraphMol/QueryOps.h @@ -12,7 +12,7 @@ /*! \brief Includes a bunch of functionality for handling Atom and Bond queries. */ -#include +#include #ifndef _RD_QUERY_OPS_H #define _RD_QUERY_OPS_H diff --git a/Code/GraphMol/RDKitBase.h b/Code/GraphMol/RDKitBase.h index e7e29ae0d..553e5cc0c 100644 --- a/Code/GraphMol/RDKitBase.h +++ b/Code/GraphMol/RDKitBase.h @@ -14,7 +14,7 @@ */ -#include +#include #ifndef _RDKIT_BASE_H #define _RDKIT_BASE_H diff --git a/Code/GraphMol/RDKitQueries.h b/Code/GraphMol/RDKitQueries.h index 8ab18f671..0cd5e0006 100644 --- a/Code/GraphMol/RDKitQueries.h +++ b/Code/GraphMol/RDKitQueries.h @@ -13,7 +13,7 @@ \brief pulls in the \c RDKit Query functionality */ -#include +#include #ifndef _RDKIT_QUERIES_H #define _RDKIT_QUERIES_H diff --git a/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h b/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h index aa66d2e85..b17aac24c 100644 --- a/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h +++ b/Code/GraphMol/RGroupDecomposition/RGroupDecomp.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RDKIT_RGROUPDECOMP_H #define RDKIT_RGROUPDECOMP_H diff --git a/Code/GraphMol/ROMol.h b/Code/GraphMol/ROMol.h index 664a60f6a..5459accdc 100644 --- a/Code/GraphMol/ROMol.h +++ b/Code/GraphMol/ROMol.h @@ -14,7 +14,7 @@ */ -#include +#include #ifndef __RD_ROMOL_H__ #define __RD_ROMOL_H__ diff --git a/Code/GraphMol/RWMol.h b/Code/GraphMol/RWMol.h index b095ad296..f9f49eefb 100644 --- a/Code/GraphMol/RWMol.h +++ b/Code/GraphMol/RWMol.h @@ -13,7 +13,7 @@ */ -#include +#include #ifndef __RD_RWMOL_H__ #define __RD_RWMOL_H__ diff --git a/Code/GraphMol/ReducedGraphs/ReducedGraphs.h b/Code/GraphMol/ReducedGraphs/ReducedGraphs.h index 953f8114d..a54e5f418 100644 --- a/Code/GraphMol/ReducedGraphs/ReducedGraphs.h +++ b/Code/GraphMol/ReducedGraphs/ReducedGraphs.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_REDUCEDGRAPHS_H_ #define _RD_REDUCEDGRAPHS_H_ diff --git a/Code/GraphMol/Resonance.h b/Code/GraphMol/Resonance.h index 6f7f39689..0e6b72a84 100644 --- a/Code/GraphMol/Resonance.h +++ b/Code/GraphMol/Resonance.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RESONANCE_H__ #define _RESONANCE_H__ diff --git a/Code/GraphMol/RingInfo.h b/Code/GraphMol/RingInfo.h index fbcf51365..4e322c0fb 100644 --- a/Code/GraphMol/RingInfo.h +++ b/Code/GraphMol/RingInfo.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_RINGINFO_H #define _RD_RINGINFO_H diff --git a/Code/GraphMol/Rings.h b/Code/GraphMol/Rings.h index 15e712ab4..20a36a66f 100644 --- a/Code/GraphMol/Rings.h +++ b/Code/GraphMol/Rings.h @@ -11,7 +11,7 @@ //! \file Rings.h //! \brief utility functionality for working with ring systems -#include +#include #ifndef _RDRINGS_H_ #define _RDRINGS_H_ diff --git a/Code/GraphMol/SLNParse/SLNAttribs.h b/Code/GraphMol/SLNParse/SLNAttribs.h index 69ca762ba..bb7a31127 100644 --- a/Code/GraphMol/SLNParse/SLNAttribs.h +++ b/Code/GraphMol/SLNParse/SLNAttribs.h @@ -31,7 +31,7 @@ // // Created by Greg Landrum, September 2006 // -#include +#include #ifndef __RD_SLNATTRIBS_H__ #define __RD_SLNATTRIBS_H__ diff --git a/Code/GraphMol/SLNParse/SLNParse.h b/Code/GraphMol/SLNParse/SLNParse.h index ca6a3c53b..ab539d596 100644 --- a/Code/GraphMol/SLNParse/SLNParse.h +++ b/Code/GraphMol/SLNParse/SLNParse.h @@ -31,7 +31,7 @@ // // Created by Greg Landrum, September 2006 // -#include +#include #ifndef __RD_SLNPARSE_H__ #define __RD_SLNPARSE_H__ diff --git a/Code/GraphMol/SLNParse/SLNParseOps.h b/Code/GraphMol/SLNParse/SLNParseOps.h index d7724c5fa..cbc1ee03e 100644 --- a/Code/GraphMol/SLNParse/SLNParseOps.h +++ b/Code/GraphMol/SLNParse/SLNParseOps.h @@ -31,7 +31,7 @@ // // Created by Greg Landrum, September 2006 // -#include +#include #ifndef __RD_SLNPARSEOPS_H__ #define __RD_SLNPARSEOPS_H__ diff --git a/Code/GraphMol/SanitException.h b/Code/GraphMol/SanitException.h index f228db326..37cdd7bbd 100644 --- a/Code/GraphMol/SanitException.h +++ b/Code/GraphMol/SanitException.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef _RD_SANITEXCEPTION_H #define _RD_SANITEXCEPTION_H diff --git a/Code/GraphMol/ShapeHelpers/ShapeEncoder.h b/Code/GraphMol/ShapeHelpers/ShapeEncoder.h index 9b46a08c9..3d611ee7a 100644 --- a/Code/GraphMol/ShapeHelpers/ShapeEncoder.h +++ b/Code/GraphMol/ShapeHelpers/ShapeEncoder.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_SHAPE_ENCODER_H_20050125_0800_ #define _RD_SHAPE_ENCODER_H_20050125_0800_ diff --git a/Code/GraphMol/ShapeHelpers/ShapeUtils.h b/Code/GraphMol/ShapeHelpers/ShapeUtils.h index d1ad1e914..da42200f5 100644 --- a/Code/GraphMol/ShapeHelpers/ShapeUtils.h +++ b/Code/GraphMol/ShapeHelpers/ShapeUtils.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_SHAPE_UTILS_H_20050128_ #define _RD_SHAPE_UTILS_H_20050128_ #include diff --git a/Code/GraphMol/SmilesParse/SmartsWrite.h b/Code/GraphMol/SmilesParse/SmartsWrite.h index cd744e3ec..aa1d3c116 100644 --- a/Code/GraphMol/SmilesParse/SmartsWrite.h +++ b/Code/GraphMol/SmilesParse/SmartsWrite.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_SMARTSWRITE_H #define _RD_SMARTSWRITE_H diff --git a/Code/GraphMol/SmilesParse/SmilesParse.h b/Code/GraphMol/SmilesParse/SmilesParse.h index 1ee844651..2809075fe 100644 --- a/Code/GraphMol/SmilesParse/SmilesParse.h +++ b/Code/GraphMol/SmilesParse/SmilesParse.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_SMILESPARSE_H_ #define _RD_SMILESPARSE_H_ diff --git a/Code/GraphMol/SmilesParse/SmilesParseOps.h b/Code/GraphMol/SmilesParse/SmilesParseOps.h index ce570d876..39cf20803 100644 --- a/Code/GraphMol/SmilesParse/SmilesParseOps.h +++ b/Code/GraphMol/SmilesParse/SmilesParseOps.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_SMILESPARSEOPS_H #define _RD_SMILESPARSEOPS_H #include diff --git a/Code/GraphMol/SmilesParse/SmilesWrite.h b/Code/GraphMol/SmilesParse/SmilesWrite.h index 2b0afc736..27bcb7eb9 100644 --- a/Code/GraphMol/SmilesParse/SmilesWrite.h +++ b/Code/GraphMol/SmilesParse/SmilesWrite.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_SMILESWRITE_H #define _RD_SMILESWRITE_H diff --git a/Code/GraphMol/SmilesParse/primes.h b/Code/GraphMol/SmilesParse/primes.h index 179a32013..b5ab1ec58 100644 --- a/Code/GraphMol/SmilesParse/primes.h +++ b/Code/GraphMol/SmilesParse/primes.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_PRIMES_H #define _RD_PRIMES_H diff --git a/Code/GraphMol/StructChecker/Pattern.h b/Code/GraphMol/StructChecker/Pattern.h index 26d9d06fc..b0bc58cf5 100644 --- a/Code/GraphMol/StructChecker/Pattern.h +++ b/Code/GraphMol/StructChecker/Pattern.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include "StructChecker.h" #include "Utilites.h" diff --git a/Code/GraphMol/StructChecker/ReCharge.h b/Code/GraphMol/StructChecker/ReCharge.h index 7602c8d2e..a988e4547 100644 --- a/Code/GraphMol/StructChecker/ReCharge.h +++ b/Code/GraphMol/StructChecker/ReCharge.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include "StructChecker.h" #include "Pattern.h" diff --git a/Code/GraphMol/StructChecker/Stereo.h b/Code/GraphMol/StructChecker/Stereo.h index 430182d2b..54574c789 100644 --- a/Code/GraphMol/StructChecker/Stereo.h +++ b/Code/GraphMol/StructChecker/Stereo.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include "StructChecker.h" #include "Utilites.h" diff --git a/Code/GraphMol/StructChecker/StripSmallFragments.h b/Code/GraphMol/StructChecker/StripSmallFragments.h index 05eb575f3..96fa74437 100644 --- a/Code/GraphMol/StructChecker/StripSmallFragments.h +++ b/Code/GraphMol/StructChecker/StripSmallFragments.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include "StructChecker.h" diff --git a/Code/GraphMol/StructChecker/StructChecker.h b/Code/GraphMol/StructChecker/StructChecker.h index 62a05c6af..1d0591c48 100644 --- a/Code/GraphMol/StructChecker/StructChecker.h +++ b/Code/GraphMol/StructChecker/StructChecker.h @@ -17,7 +17,7 @@ future releases. */ -#include +#include #pragma once #ifndef RD_STRUCTCHECKER_H_Oct2016 #define RD_STRUCTCHECKER_H_Oct2016 diff --git a/Code/GraphMol/StructChecker/StructCheckerOptions.h b/Code/GraphMol/StructChecker/StructCheckerOptions.h index 679bdd150..3b58a6f97 100644 --- a/Code/GraphMol/StructChecker/StructCheckerOptions.h +++ b/Code/GraphMol/StructChecker/StructCheckerOptions.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #include "StructChecker.h" namespace RDKit { diff --git a/Code/GraphMol/StructChecker/Tautomer.h b/Code/GraphMol/StructChecker/Tautomer.h index 0ed961804..dbc522a69 100644 --- a/Code/GraphMol/StructChecker/Tautomer.h +++ b/Code/GraphMol/StructChecker/Tautomer.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include "StructChecker.h" diff --git a/Code/GraphMol/StructChecker/Utilites.h b/Code/GraphMol/StructChecker/Utilites.h index 522da0de2..726ff599f 100644 --- a/Code/GraphMol/StructChecker/Utilites.h +++ b/Code/GraphMol/StructChecker/Utilites.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #pragma once #include "../RDKitBase.h" #include "StructChecker.h" diff --git a/Code/GraphMol/Subgraphs/SubgraphUtils.h b/Code/GraphMol/Subgraphs/SubgraphUtils.h index 740d54c83..5be339a92 100644 --- a/Code/GraphMol/Subgraphs/SubgraphUtils.h +++ b/Code/GraphMol/Subgraphs/SubgraphUtils.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_SUBGRAPHUTILS_H_ #define _RD_SUBGRAPHUTILS_H_ diff --git a/Code/GraphMol/Subgraphs/Subgraphs.h b/Code/GraphMol/Subgraphs/Subgraphs.h index 4e67ed99e..b4b4765af 100644 --- a/Code/GraphMol/Subgraphs/Subgraphs.h +++ b/Code/GraphMol/Subgraphs/Subgraphs.h @@ -25,7 +25,7 @@ has 3 _subgraphs_ of length 3: (0,1,2),(0,1,3),(2,1,3) but only 2 _paths_ of length 3: (0,1,3),(2,1,3) */ -#include +#include #ifndef _RD_SUBGRAPHS_H_ #define _RD_SUBGRAPHS_H_ diff --git a/Code/GraphMol/Substruct/SubstructMatch.h b/Code/GraphMol/Substruct/SubstructMatch.h index 065f6f6e1..ae7c80278 100644 --- a/Code/GraphMol/Substruct/SubstructMatch.h +++ b/Code/GraphMol/Substruct/SubstructMatch.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_SUBSTRUCTMATCH_H #define RD_SUBSTRUCTMATCH_H diff --git a/Code/GraphMol/Substruct/SubstructUtils.h b/Code/GraphMol/Substruct/SubstructUtils.h index 9f0c656ae..4d0bdf31d 100644 --- a/Code/GraphMol/Substruct/SubstructUtils.h +++ b/Code/GraphMol/Substruct/SubstructUtils.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_SUBSTRUCT_UTILS_H_ #define _RD_SUBSTRUCT_UTILS_H_ diff --git a/Code/GraphMol/SubstructLibrary/SubstructLibrary.h b/Code/GraphMol/SubstructLibrary/SubstructLibrary.h index b69976170..29f44dc50 100644 --- a/Code/GraphMol/SubstructLibrary/SubstructLibrary.h +++ b/Code/GraphMol/SubstructLibrary/SubstructLibrary.h @@ -28,7 +28,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_SUBSTRUCT_LIBRARY #define RDKIT_SUBSTRUCT_LIBRARY diff --git a/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.h b/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.h index 6673f6f07..922f9e9bb 100644 --- a/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.h +++ b/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.h @@ -28,7 +28,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDSUBSTRUCTLIBRARY_INCL #define RDSUBSTRUCTLIBRARY_INCL diff --git a/Code/GraphMol/Trajectory/Snapshot.h b/Code/GraphMol/Trajectory/Snapshot.h index 3bd322e7b..b93beb8dc 100644 --- a/Code/GraphMol/Trajectory/Snapshot.h +++ b/Code/GraphMol/Trajectory/Snapshot.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef __RD_SNAPSHOT_H__ #define __RD_SNAPSHOT_H__ #include diff --git a/Code/GraphMol/Trajectory/Trajectory.h b/Code/GraphMol/Trajectory/Trajectory.h index d03ba5ed3..66a8e32f7 100644 --- a/Code/GraphMol/Trajectory/Trajectory.h +++ b/Code/GraphMol/Trajectory/Trajectory.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef RD_TRAJECTORY_H #define RD_TRAJECTORY_H #include diff --git a/Code/GraphMol/Wrap/MolSupplier.h b/Code/GraphMol/Wrap/MolSupplier.h index 7774a2420..6bc095195 100644 --- a/Code/GraphMol/Wrap/MolSupplier.h +++ b/Code/GraphMol/Wrap/MolSupplier.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_WRAP_MOLSUPPLIER_H_ #define _RD_WRAP_MOLSUPPLIER_H_ //! Template functions for wrapping suppliers as python iterators. diff --git a/Code/GraphMol/Wrap/rdchem.h b/Code/GraphMol/Wrap/rdchem.h index 0658fa141..59ac6d21e 100644 --- a/Code/GraphMol/Wrap/rdchem.h +++ b/Code/GraphMol/Wrap/rdchem.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RDCHEM_INCL_ #define _RDCHEM_INCL_ diff --git a/Code/GraphMol/Wrap/rdmolfiles.h b/Code/GraphMol/Wrap/rdmolfiles.h index f22482878..1708fff34 100644 --- a/Code/GraphMol/Wrap/rdmolfiles.h +++ b/Code/GraphMol/Wrap/rdmolfiles.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RDMOLFILES_INCL_ #define _RDMOLFILES_INCL_ diff --git a/Code/GraphMol/Wrap/rdmolops.h b/Code/GraphMol/Wrap/rdmolops.h index b19284916..40a96e26e 100644 --- a/Code/GraphMol/Wrap/rdmolops.h +++ b/Code/GraphMol/Wrap/rdmolops.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RDMOLOPS_INCL_ #define _RDMOLOPS_INCL_ diff --git a/Code/GraphMol/Wrap/substructmethods.h b/Code/GraphMol/Wrap/substructmethods.h index 734e65c8a..5567d0c06 100644 --- a/Code/GraphMol/Wrap/substructmethods.h +++ b/Code/GraphMol/Wrap/substructmethods.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RDKIT_SUBSTRUCT_METHODS_H #define RDKIT_SUBSTRUCT_METHODS_H #include diff --git a/Code/GraphMol/atomic_data.h b/Code/GraphMol/atomic_data.h index 929a09cfa..e77605c2f 100644 --- a/Code/GraphMol/atomic_data.h +++ b/Code/GraphMol/atomic_data.h @@ -15,7 +15,7 @@ This stuff is used by the PeriodicTable interface */ -#include +#include #ifndef __RD_ATOMIC_DATA_H #define __RD_ATOMIC_DATA_H diff --git a/Code/GraphMol/details.h b/Code/GraphMol/details.h index f315f890c..009f9e53e 100644 --- a/Code/GraphMol/details.h +++ b/Code/GraphMol/details.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #include namespace RDKit { diff --git a/Code/GraphMol/new_canon.h b/Code/GraphMol/new_canon.h index 027bf352b..a3cd98666 100644 --- a/Code/GraphMol/new_canon.h +++ b/Code/GraphMol/new_canon.h @@ -9,7 +9,7 @@ // of the RDKit source tree. // -#include +#include #include #include #include diff --git a/Code/JavaWrappers/DiversityPick.h b/Code/JavaWrappers/DiversityPick.h index 2c320dbe6..35dba28b6 100644 --- a/Code/JavaWrappers/DiversityPick.h +++ b/Code/JavaWrappers/DiversityPick.h @@ -1,4 +1,4 @@ -#include +#include #include #include #include diff --git a/Code/JavaWrappers/GenericRDKitException.h b/Code/JavaWrappers/GenericRDKitException.h index abfaa53ef..f00dc0faa 100644 --- a/Code/JavaWrappers/GenericRDKitException.h +++ b/Code/JavaWrappers/GenericRDKitException.h @@ -9,7 +9,7 @@ // A generic exception (to cause a corresponding one to be created in Java) -#include +#include #include namespace RDKit { diff --git a/Code/JavaWrappers/MorganFingerprints.h b/Code/JavaWrappers/MorganFingerprints.h index 4546f77f1..917537470 100644 --- a/Code/JavaWrappers/MorganFingerprints.h +++ b/Code/JavaWrappers/MorganFingerprints.h @@ -1,5 +1,5 @@ -#include +#include #include #include #include diff --git a/Code/JavaWrappers/csharp_wrapper/GraphMolCSharp.i b/Code/JavaWrappers/csharp_wrapper/GraphMolCSharp.i index d008d94ea..9bc4edb58 100644 --- a/Code/JavaWrappers/csharp_wrapper/GraphMolCSharp.i +++ b/Code/JavaWrappers/csharp_wrapper/GraphMolCSharp.i @@ -71,7 +71,7 @@ %include /* undefine RDKIT__EXPORT macros */ -%include +%include /* Include the base types before anything that will utilize them */ #ifdef SWIGWIN %include "../msvc_stdint.i" diff --git a/Code/JavaWrappers/gmwrapper/GraphMolJava.i b/Code/JavaWrappers/gmwrapper/GraphMolJava.i index 7ded8829f..2e0067910 100644 --- a/Code/JavaWrappers/gmwrapper/GraphMolJava.i +++ b/Code/JavaWrappers/gmwrapper/GraphMolJava.i @@ -70,7 +70,7 @@ %include /* undefine RDKIT__EXPORT macros */ -%include +%include /* Include the base types before anything that will utilize them */ #ifdef SWIGWIN %include "../msvc_stdint.i" diff --git a/Code/ML/Cluster/Murtagh/f2c.h b/Code/ML/Cluster/Murtagh/f2c.h index d8523f764..7ab645e6e 100644 --- a/Code/ML/Cluster/Murtagh/f2c.h +++ b/Code/ML/Cluster/Murtagh/f2c.h @@ -4,7 +4,7 @@ - From The Shogakukan DICTIONARY OF NEW ENGLISH (Second edition) */ -#include +#include #ifndef F2C_INCLUDE #define F2C_INCLUDE diff --git a/Code/ML/InfoTheory/CorrMatGenerator.h b/Code/ML/InfoTheory/CorrMatGenerator.h index 8d56835ff..417ba1e9c 100644 --- a/Code/ML/InfoTheory/CorrMatGenerator.h +++ b/Code/ML/InfoTheory/CorrMatGenerator.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_CORRMATGENERATOR_H_ #define _RD_CORRMATGENERATOR_H_ diff --git a/Code/ML/InfoTheory/InfoBitRanker.h b/Code/ML/InfoTheory/InfoBitRanker.h index a77bf047b..05abd1970 100644 --- a/Code/ML/InfoTheory/InfoBitRanker.h +++ b/Code/ML/InfoTheory/InfoBitRanker.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef _RD_INFORANKER_H_ #define _RD_INFORANKER_H_ diff --git a/Code/ML/InfoTheory/InfoGainFuncs.h b/Code/ML/InfoTheory/InfoGainFuncs.h index 487824747..8241499cb 100644 --- a/Code/ML/InfoTheory/InfoGainFuncs.h +++ b/Code/ML/InfoTheory/InfoGainFuncs.h @@ -3,7 +3,7 @@ // Copyright (C) 2003 Rational Discovery LLC // -#include +#include #ifndef INFOGAINFUNC_H #define INFOGAINFUNC_H diff --git a/Code/Numerics/Alignment/AlignPoints.h b/Code/Numerics/Alignment/AlignPoints.h index 629fc1800..ce056924d 100644 --- a/Code/Numerics/Alignment/AlignPoints.h +++ b/Code/Numerics/Alignment/AlignPoints.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_ALIGN_POINTS_H__ #define __RD_ALIGN_POINTS_H__ diff --git a/Code/Numerics/EigenSolvers/PowerEigenSolver.h b/Code/Numerics/EigenSolvers/PowerEigenSolver.h index 49d9b30ba..1d8f26140 100644 --- a/Code/Numerics/EigenSolvers/PowerEigenSolver.h +++ b/Code/Numerics/EigenSolvers/PowerEigenSolver.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef _RD_POWER_EIGENSOLVER_H #define _RD_POWER_EIGENSOLVER_H diff --git a/Code/Numerics/Matrix.h b/Code/Numerics/Matrix.h index efb9533e7..3bc5e1b4f 100644 --- a/Code/Numerics/Matrix.h +++ b/Code/Numerics/Matrix.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_MATRIX_H__ #define __RD_MATRIX_H__ diff --git a/Code/Numerics/Optimizer/BFGSOpt.h b/Code/Numerics/Optimizer/BFGSOpt.h index de5e18793..9a8247af1 100644 --- a/Code/Numerics/Optimizer/BFGSOpt.h +++ b/Code/Numerics/Optimizer/BFGSOpt.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #include #include #include diff --git a/Code/Numerics/SquareMatrix.h b/Code/Numerics/SquareMatrix.h index 512bbbda8..36a8089ce 100644 --- a/Code/Numerics/SquareMatrix.h +++ b/Code/Numerics/SquareMatrix.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_SQUARE_MATRIX_H__ #define __RD_SQUARE_MATRIX_H__ diff --git a/Code/Numerics/SymmMatrix.h b/Code/Numerics/SymmMatrix.h index eb82f97fe..2b19c5620 100644 --- a/Code/Numerics/SymmMatrix.h +++ b/Code/Numerics/SymmMatrix.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_SYMM_MATRIX_H__ #define __RD_SYMM_MATRIX_H__ diff --git a/Code/Numerics/Vector.h b/Code/Numerics/Vector.h index 3862fc58f..84df0bb3d 100644 --- a/Code/Numerics/Vector.h +++ b/Code/Numerics/Vector.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_VECTOR_H__ #define __RD_VECTOR_H__ diff --git a/Code/PgSQL/rdkit/bitstring.h b/Code/PgSQL/rdkit/bitstring.h index d062fc080..66ffbe226 100644 --- a/Code/PgSQL/rdkit/bitstring.h +++ b/Code/PgSQL/rdkit/bitstring.h @@ -29,7 +29,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef BINARY_STRING_OPERATIONS_INCLUDED #define BINARY_STRING_OPERATIONS_INCLUDED diff --git a/Code/PgSQL/rdkit/cache.h b/Code/PgSQL/rdkit/cache.h index 895327d42..98a198e6d 100644 --- a/Code/PgSQL/rdkit/cache.h +++ b/Code/PgSQL/rdkit/cache.h @@ -30,7 +30,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef _RDKIT_CACHE_H_ #define _RDKIT_CACHE_H_ diff --git a/Code/PgSQL/rdkit/guc.h b/Code/PgSQL/rdkit/guc.h index 67a31c31a..5b1c340ee 100644 --- a/Code/PgSQL/rdkit/guc.h +++ b/Code/PgSQL/rdkit/guc.h @@ -30,7 +30,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_GUC_H_ #define RDKIT_GUC_H_ diff --git a/Code/PgSQL/rdkit/rdkit.h b/Code/PgSQL/rdkit/rdkit.h index 955cd180f..f0669370e 100644 --- a/Code/PgSQL/rdkit/rdkit.h +++ b/Code/PgSQL/rdkit/rdkit.h @@ -29,7 +29,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_H_PSQL #define RDKIT_H_PSQL diff --git a/Code/Query/AndQuery.h b/Code/Query/AndQuery.h index fca1918f4..4053e286c 100644 --- a/Code/Query/AndQuery.h +++ b/Code/Query/AndQuery.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_ANDQUERY_H__ #define __RD_ANDQUERY_H__ diff --git a/Code/Query/EqualityQuery.h b/Code/Query/EqualityQuery.h index 811310416..fdc1d2057 100644 --- a/Code/Query/EqualityQuery.h +++ b/Code/Query/EqualityQuery.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_EQUALITYQUERY_H__ #define __RD_EQUALITYQUERY_H__ #include "Query.h" diff --git a/Code/Query/GreaterEqualQuery.h b/Code/Query/GreaterEqualQuery.h index 1e4d5f3d7..c8ffe88b7 100644 --- a/Code/Query/GreaterEqualQuery.h +++ b/Code/Query/GreaterEqualQuery.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_GREATEREQUALQUERY_H__ #define __RD_GREATEREQUALQUERY_H__ #include "Query.h" diff --git a/Code/Query/GreaterQuery.h b/Code/Query/GreaterQuery.h index c38364b13..e48f192b7 100644 --- a/Code/Query/GreaterQuery.h +++ b/Code/Query/GreaterQuery.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_GREATERQUERY_H__ #define __RD_GREATERQUERY_H__ #include "Query.h" diff --git a/Code/Query/LessEqualQuery.h b/Code/Query/LessEqualQuery.h index 8f7843127..3d24dbc26 100644 --- a/Code/Query/LessEqualQuery.h +++ b/Code/Query/LessEqualQuery.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_LESSEQUALQUERY_H__ #define __RD_LESSEQUALQUERY_H__ #include "Query.h" diff --git a/Code/Query/LessQuery.h b/Code/Query/LessQuery.h index 0b453545b..5ea1d6ebe 100644 --- a/Code/Query/LessQuery.h +++ b/Code/Query/LessQuery.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_LESSQUERY_H__ #define __RD_LESSQUERY_H__ #include "Query.h" diff --git a/Code/Query/OrQuery.h b/Code/Query/OrQuery.h index b11ed3ee8..82e573a4a 100644 --- a/Code/Query/OrQuery.h +++ b/Code/Query/OrQuery.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_ORQUERY_H__ #define __RD_ORQUERY_H__ diff --git a/Code/Query/Query.h b/Code/Query/Query.h index fd9580775..0b87c1f18 100644 --- a/Code/Query/Query.h +++ b/Code/Query/Query.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_QUERY_H__ #define __RD_QUERY_H__ diff --git a/Code/Query/QueryObjects.h b/Code/Query/QueryObjects.h index f8e0756b1..1fbbc9c5d 100644 --- a/Code/Query/QueryObjects.h +++ b/Code/Query/QueryObjects.h @@ -13,7 +13,7 @@ \brief Pulls in all the query types. */ -#include +#include #ifndef __RD_QUERYOBJECTS_H__ #define __RD_QUERYOBJECTS_H__ diff --git a/Code/Query/RangeQuery.h b/Code/Query/RangeQuery.h index 9a5608ef7..e8ad6e201 100644 --- a/Code/Query/RangeQuery.h +++ b/Code/Query/RangeQuery.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_RANGEQUERY_H__ #define __RD_RANGEQUERY_H__ #include "Query.h" diff --git a/Code/Query/SetQuery.h b/Code/Query/SetQuery.h index aebec512a..dd1bf3e0d 100644 --- a/Code/Query/SetQuery.h +++ b/Code/Query/SetQuery.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_SETQUERY_H__ #define __RD_SETQUERY_H__ #include diff --git a/Code/Query/XOrQuery.h b/Code/Query/XOrQuery.h index 0e64710cd..6417ba91e 100644 --- a/Code/Query/XOrQuery.h +++ b/Code/Query/XOrQuery.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef __RD_XORQUERY_H__ #define __RD_XORQUERY_H__ diff --git a/Code/RDBoost/CMakeLists.txt b/Code/RDBoost/CMakeLists.txt index ccdb114e7..b868bae87 100644 --- a/Code/RDBoost/CMakeLists.txt +++ b/Code/RDBoost/CMakeLists.txt @@ -21,7 +21,6 @@ rdkit_headers(Wrap.h PySequenceHolder.h python.h boost_numpy.h python_streambuf.h - export.h test.h DEST RDBoost) diff --git a/Code/RDBoost/PySequenceHolder.h b/Code/RDBoost/PySequenceHolder.h index 12f48a414..e848e4d84 100644 --- a/Code/RDBoost/PySequenceHolder.h +++ b/Code/RDBoost/PySequenceHolder.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef _RD_PYSEQUENCEHOLDER_H_ #define _RD_PYSEQUENCEHOLDER_H_ diff --git a/Code/RDBoost/Wrap.h b/Code/RDBoost/Wrap.h index 0d4700b34..66450e5cd 100644 --- a/Code/RDBoost/Wrap.h +++ b/Code/RDBoost/Wrap.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_WRAP_H_ #define _RD_WRAP_H_ diff --git a/Code/RDBoost/boost_numpy.h b/Code/RDBoost/boost_numpy.h index 3ac65cec8..2a08928d5 100644 --- a/Code/RDBoost/boost_numpy.h +++ b/Code/RDBoost/boost_numpy.h @@ -1,6 +1,6 @@ // Boost python numpy available in Boost 1.63+ // Boost python numeric removed in Boost 1.65+ -#include +#include #if BOOST_VERSION < 106500 #include typedef boost::python::numeric::array NumpyArrayType; diff --git a/Code/RDBoost/import_array.h b/Code/RDBoost/import_array.h index 04363b209..29f7099bc 100644 --- a/Code/RDBoost/import_array.h +++ b/Code/RDBoost/import_array.h @@ -1,4 +1,4 @@ -#include +#include #ifndef RDKIT_IMPORT_ARRAY_INCLUDED #define RDKIT_IMPORT_ARRAY_INCLUDED diff --git a/Code/RDBoost/iterator_next.h b/Code/RDBoost/iterator_next.h index ca0b081e0..666058c85 100644 --- a/Code/RDBoost/iterator_next.h +++ b/Code/RDBoost/iterator_next.h @@ -1,4 +1,4 @@ -#include +#include #ifndef RDKIT_ITERATOR_NEXT_INCLUDED #define RDKIT_ITERATOR_NEXT_INCLUDED diff --git a/Code/RDBoost/pyint_api.h b/Code/RDBoost/pyint_api.h index fcc64004d..ba1ad226f 100644 --- a/Code/RDBoost/pyint_api.h +++ b/Code/RDBoost/pyint_api.h @@ -1,4 +1,4 @@ -#include +#include #ifndef RDKIT_PYINT_API_INCLUDED #define RDKIT_PYINT_API_INCLUDED diff --git a/Code/RDBoost/python.h b/Code/RDBoost/python.h index 59c0e0abd..0c2785922 100644 --- a/Code/RDBoost/python.h +++ b/Code/RDBoost/python.h @@ -1,4 +1,4 @@ -#include +#include #include #include #include diff --git a/Code/RDBoost/python_streambuf.h b/Code/RDBoost/python_streambuf.h index 29a09de28..a5f8f5d7d 100644 --- a/Code/RDBoost/python_streambuf.h +++ b/Code/RDBoost/python_streambuf.h @@ -12,7 +12,7 @@ // The license is here: // http://cctbx.svn.sourceforge.net/viewvc/cctbx/trunk/boost_adaptbx/LICENSE_2_0.txt?revision=5148 // -#include +#include #ifndef BOOST_ADAPTBX_PYTHON_STREAMBUF_H #define BOOST_ADAPTBX_PYTHON_STREAMBUF_H #include diff --git a/Code/RDGeneral/BadFileException.h b/Code/RDGeneral/BadFileException.h index fccec9f7b..7516e72ec 100644 --- a/Code/RDGeneral/BadFileException.h +++ b/Code/RDGeneral/BadFileException.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_BADFILEEXCEPTION_H #define _RD_BADFILEEXCEPTION_H diff --git a/Code/RDGeneral/BoostEndInclude.h b/Code/RDGeneral/BoostEndInclude.h index 845166fa2..931e024a2 100644 --- a/Code/RDGeneral/BoostEndInclude.h +++ b/Code/RDGeneral/BoostEndInclude.h @@ -33,7 +33,7 @@ // # include boost stuff // #include -#include +#include #if defined(__clang__) /* Clang/LLVM. ---------------------------------------------- */ #pragma GCC diagnostic pop diff --git a/Code/RDGeneral/BoostStartInclude.h b/Code/RDGeneral/BoostStartInclude.h index c8044a7bd..dea535ca8 100644 --- a/Code/RDGeneral/BoostStartInclude.h +++ b/Code/RDGeneral/BoostStartInclude.h @@ -33,7 +33,7 @@ // #include // # include boost stuff // #include -#include +#include #if defined(__clang__) /* Clang/LLVM. ---------------------------------------------- */ #pragma GCC diagnostic push diff --git a/Code/RDGeneral/CMakeLists.txt b/Code/RDGeneral/CMakeLists.txt index 31c52662a..cbdb2b4e2 100644 --- a/Code/RDGeneral/CMakeLists.txt +++ b/Code/RDGeneral/CMakeLists.txt @@ -58,6 +58,7 @@ rdkit_headers(Exceptions.h LocaleSwitcher.h Ranking.h hanoiSort.h + export.h DEST RDGeneral) if (NOT RDK_INSTALL_INTREE) install(DIRECTORY hash DESTINATION ${RDKit_HdrDir}/RDGeneral/hash diff --git a/Code/RDGeneral/Dict.h b/Code/RDGeneral/Dict.h index 743a5049e..10b070fe2 100644 --- a/Code/RDGeneral/Dict.h +++ b/Code/RDGeneral/Dict.h @@ -12,7 +12,7 @@ \brief Defines the Dict class */ -#include +#include #ifndef __RD_DICT_H__ #define __RD_DICT_H__ diff --git a/Code/RDGeneral/Exceptions.h b/Code/RDGeneral/Exceptions.h index 646c21fc9..9c2769fc3 100644 --- a/Code/RDGeneral/Exceptions.h +++ b/Code/RDGeneral/Exceptions.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_EXCEPTIONS_H #define _RD_EXCEPTIONS_H #include diff --git a/Code/RDGeneral/FileParseException.h b/Code/RDGeneral/FileParseException.h index faf38b603..969e54b64 100644 --- a/Code/RDGeneral/FileParseException.h +++ b/Code/RDGeneral/FileParseException.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_FILEPARSEEXCEPTION_H #define _RD_FILEPARSEEXCEPTION_H diff --git a/Code/RDGeneral/Invariant.h b/Code/RDGeneral/Invariant.h index d790e3107..b93147528 100644 --- a/Code/RDGeneral/Invariant.h +++ b/Code/RDGeneral/Invariant.h @@ -9,7 +9,7 @@ // of the RDKit source tree. // -#include +#include #ifndef __RD_INVARIANT_H__ #define __RD_INVARIANT_H__ diff --git a/Code/RDGeneral/LocaleSwitcher.h b/Code/RDGeneral/LocaleSwitcher.h index 928b9113d..e4d934abc 100644 --- a/Code/RDGeneral/LocaleSwitcher.h +++ b/Code/RDGeneral/LocaleSwitcher.h @@ -28,7 +28,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef _RD_LOCALESWITCHER_H #define _RD_LOCALESWITCHER_H diff --git a/Code/RDGeneral/RDAny.h b/Code/RDGeneral/RDAny.h index d6cdc4fde..5836bf95d 100644 --- a/Code/RDGeneral/RDAny.h +++ b/Code/RDGeneral/RDAny.h @@ -28,7 +28,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_RDANY_H #define RDKIT_RDANY_H #include diff --git a/Code/RDGeneral/RDLog.h b/Code/RDGeneral/RDLog.h index 2762d80b7..e510ba4fb 100644 --- a/Code/RDGeneral/RDLog.h +++ b/Code/RDGeneral/RDLog.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef _RDLOG_H_29JUNE2005_ #define _RDLOG_H_29JUNE2005_ diff --git a/Code/RDGeneral/RDProps.h b/Code/RDGeneral/RDProps.h index c6052a310..7b35c4e04 100644 --- a/Code/RDGeneral/RDProps.h +++ b/Code/RDGeneral/RDProps.h @@ -1,4 +1,4 @@ -#include +#include #ifndef RDKIT_RDPROPS_H #define RDKIT_RDPROPS_H #include "Dict.h" diff --git a/Code/RDGeneral/RDThreads.h b/Code/RDGeneral/RDThreads.h index 619805443..167028314 100644 --- a/Code/RDGeneral/RDThreads.h +++ b/Code/RDGeneral/RDThreads.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef RDTHREADS_H_2015 #define RDTHREADS_H_2015 diff --git a/Code/RDGeneral/RDValue-doublemagic.h b/Code/RDGeneral/RDValue-doublemagic.h index daab8e796..8339f341a 100644 --- a/Code/RDGeneral/RDValue-doublemagic.h +++ b/Code/RDGeneral/RDValue-doublemagic.h @@ -28,7 +28,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_RDVALUE_PTRMAGIC_H #define RDKIT_RDVALUE_PTRMAGIC_H diff --git a/Code/RDGeneral/RDValue-taggedunion.h b/Code/RDGeneral/RDValue-taggedunion.h index 0a4b00860..05bf23dcf 100644 --- a/Code/RDGeneral/RDValue-taggedunion.h +++ b/Code/RDGeneral/RDValue-taggedunion.h @@ -28,7 +28,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_RDVALUE_TAGGED_UNION_H #define RDKIT_RDVALUE_TAGGED_UNION_H diff --git a/Code/RDGeneral/RDValue.h b/Code/RDGeneral/RDValue.h index a36d04a47..f65f6d859 100644 --- a/Code/RDGeneral/RDValue.h +++ b/Code/RDGeneral/RDValue.h @@ -28,7 +28,7 @@ // (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_RDVALUE_H #define RDKIT_RDVALUE_H diff --git a/Code/RDGeneral/Ranking.h b/Code/RDGeneral/Ranking.h index 59bcaa19b..a6a5bdfc7 100644 --- a/Code/RDGeneral/Ranking.h +++ b/Code/RDGeneral/Ranking.h @@ -14,7 +14,7 @@ Much of this used to be in GraphMol/RankAtoms.h */ -#include +#include #ifndef RD_RANKING_H #define RD_RANKING_H diff --git a/Code/RDGeneral/StreamOps.h b/Code/RDGeneral/StreamOps.h index 654fadd71..4a0842085 100644 --- a/Code/RDGeneral/StreamOps.h +++ b/Code/RDGeneral/StreamOps.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // // -#include +#include #ifndef _RD_STREAMOPS_H #define _RD_STREAMOPS_H diff --git a/Code/RDGeneral/hanoiSort.h b/Code/RDGeneral/hanoiSort.h index a57e1cdc2..35fcefa04 100644 --- a/Code/RDGeneral/hanoiSort.h +++ b/Code/RDGeneral/hanoiSort.h @@ -9,7 +9,7 @@ // of the RDKit source tree. // -#include +#include #ifndef HANOISORT_H_ #define HANOISORT_H_ diff --git a/Code/RDGeneral/types.h b/Code/RDGeneral/types.h index bb5ea6ecd..7200db37d 100644 --- a/Code/RDGeneral/types.h +++ b/Code/RDGeneral/types.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // -#include +#include #ifndef RD_TYPES_H #define RD_TYPES_H diff --git a/Code/RDGeneral/utils.h b/Code/RDGeneral/utils.h index 5ff6fb41f..173e58744 100644 --- a/Code/RDGeneral/utils.h +++ b/Code/RDGeneral/utils.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // // -#include +#include #ifndef __RD_UTILS_H__ #define __RD_UTILS_H__ diff --git a/Code/RDGeneral/versions.h.cmake b/Code/RDGeneral/versions.h.cmake index dc264aecd..ad0599909 100644 --- a/Code/RDGeneral/versions.h.cmake +++ b/Code/RDGeneral/versions.h.cmake @@ -10,7 +10,7 @@ // inspired by: https://github.com/openbabel/openbabel/blob/master/src/config.h.cmake -#include +#include /* Version check macro Can be used like #if (RDKIT_VERSION >= RDKIT_VERSION_CHECK(2018, 3, 1)) */ #define RDKIT_VERSION_CHECK(year, month, rev) ((year*1000)+(month*10)+(rev)) diff --git a/Code/SimDivPickers/DistPicker.h b/Code/SimDivPickers/DistPicker.h index 75ea904ec..cb8e5b764 100644 --- a/Code/SimDivPickers/DistPicker.h +++ b/Code/SimDivPickers/DistPicker.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _RD_DISTPICKER_H #define _RD_DISTPICKER_H diff --git a/Code/SimDivPickers/HierarchicalClusterPicker.h b/Code/SimDivPickers/HierarchicalClusterPicker.h index 5480cf072..076c37336 100644 --- a/Code/SimDivPickers/HierarchicalClusterPicker.h +++ b/Code/SimDivPickers/HierarchicalClusterPicker.h @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef _HIERARCHCLUSTERPICKER_H #define _HIERARCHCLUSTERPICKER_H diff --git a/Code/SimDivPickers/MaxMinPicker.h b/Code/SimDivPickers/MaxMinPicker.h index e7ca63015..fc2e19a0a 100644 --- a/Code/SimDivPickers/MaxMinPicker.h +++ b/Code/SimDivPickers/MaxMinPicker.h @@ -8,7 +8,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #ifndef RD_MAXMINPICKER_H #define RD_MAXMINPICKER_H diff --git a/Code/cmake/Modules/RDKitUtils.cmake b/Code/cmake/Modules/RDKitUtils.cmake index 17912e922..17fe098e7 100644 --- a/Code/cmake/Modules/RDKitUtils.cmake +++ b/Code/cmake/Modules/RDKitUtils.cmake @@ -232,7 +232,7 @@ function(createExportTestHeaders) endforeach() list(REMOVE_DUPLICATES exportLibs) list(SORT exportLibs) - set(exportPath "Code/RDBoost/export.h") + set(exportPath "Code/RDGeneral/export.h") file(WRITE "${CMAKE_BINARY_DIR}/${exportPath}" "// auto-generated __declspec definition header\n" "#pragma once\n" diff --git a/External/AvalonTools/AvalonTools.h b/External/AvalonTools/AvalonTools.h index 434b23132..b6e650b51 100755 --- a/External/AvalonTools/AvalonTools.h +++ b/External/AvalonTools/AvalonTools.h @@ -6,7 +6,7 @@ #define __AVALONTOOLS_H__ #include -#include +#include #include #include #include diff --git a/External/INCHI-API/inchi.h b/External/INCHI-API/inchi.h index a77ce1e95..6c93fd902 100644 --- a/External/INCHI-API/inchi.h +++ b/External/INCHI-API/inchi.h @@ -29,7 +29,7 @@ // OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. // -#include +#include #ifndef RDKIT_INCHI_30JUNE2011 #define RDKIT_INCHI_30JUNE2011 #include