diff --git a/Code/DataManip/MetricMatrixCalc/testMatCalc.cpp b/Code/DataManip/MetricMatrixCalc/testMatCalc.cpp index 8d447ab72..5441f0c3f 100644 --- a/Code/DataManip/MetricMatrixCalc/testMatCalc.cpp +++ b/Code/DataManip/MetricMatrixCalc/testMatCalc.cpp @@ -13,7 +13,7 @@ #include "MetricMatrixCalc.h" #include -#include +#include using namespace RDDataManip; int main() { diff --git a/Code/DataStructs/BitOps.cpp b/Code/DataStructs/BitOps.cpp index e927a279b..813c7135d 100644 --- a/Code/DataStructs/BitOps.cpp +++ b/Code/DataStructs/BitOps.cpp @@ -10,7 +10,7 @@ // #include "BitVects.h" #include "BitOps.h" -#include +#include #include #include #include diff --git a/Code/DataStructs/testDatastructs.cpp b/Code/DataStructs/testDatastructs.cpp index 7d502833c..79e4609e0 100644 --- a/Code/DataStructs/testDatastructs.cpp +++ b/Code/DataStructs/testDatastructs.cpp @@ -25,7 +25,7 @@ #include #include #include -#include +#include using namespace std; using namespace RDKit; diff --git a/Code/Demos/RDKit/Basement/TemplEnum/main.cpp b/Code/Demos/RDKit/Basement/TemplEnum/main.cpp index 4638b4b69..857ce1bf8 100644 --- a/Code/Demos/RDKit/Basement/TemplEnum/main.cpp +++ b/Code/Demos/RDKit/Basement/TemplEnum/main.cpp @@ -11,7 +11,7 @@ using namespace RDKit; using namespace TemplateEnum; -#include +#include bool feq(RDGeom::Point3D p1, RDGeom::Point3D p2, double tol = 1e-4) { return feq(p1.x, p2.x, tol) && feq(p1.y, p2.y, tol) && feq(p1.z, p2.z, tol); diff --git a/Code/Demos/RDKit/Basement/TemplEnum/simple.cpp b/Code/Demos/RDKit/Basement/TemplEnum/simple.cpp index 8a1cc6643..3b8e8a2c4 100644 --- a/Code/Demos/RDKit/Basement/TemplEnum/simple.cpp +++ b/Code/Demos/RDKit/Basement/TemplEnum/simple.cpp @@ -9,7 +9,7 @@ using namespace RDKit; using namespace TemplateEnum; -#include +#include bool feq(double v1, double v2, double tol = 1e-4) { return fabs(v1 - v2) <= tol; diff --git a/Code/DistGeom/testDistGeom.cpp b/Code/DistGeom/testDistGeom.cpp index a5f88e732..097534c0f 100644 --- a/Code/DistGeom/testDistGeom.cpp +++ b/Code/DistGeom/testDistGeom.cpp @@ -14,7 +14,7 @@ #include "TriangleSmooth.h" #include #include -#include +#include #include #include "DistGeomUtils.h" #include diff --git a/Code/ForceField/UFF/AngleBend.cpp b/Code/ForceField/UFF/AngleBend.cpp index a3976fb6b..142c40faa 100644 --- a/Code/ForceField/UFF/AngleBend.cpp +++ b/Code/ForceField/UFF/AngleBend.cpp @@ -11,7 +11,7 @@ #include "AngleBend.h" #include "BondStretch.h" #include "Params.h" -#include +#include #include #include #include diff --git a/Code/ForceField/UFF/BondStretch.cpp b/Code/ForceField/UFF/BondStretch.cpp index 119bf959e..0f91694b7 100644 --- a/Code/ForceField/UFF/BondStretch.cpp +++ b/Code/ForceField/UFF/BondStretch.cpp @@ -11,7 +11,7 @@ #include "BondStretch.h" #include "Params.h" -#include +#include #include #include #include diff --git a/Code/ForceField/UFF/Inversion.cpp b/Code/ForceField/UFF/Inversion.cpp index 2ce8d4c73..fad6d984c 100644 --- a/Code/ForceField/UFF/Inversion.cpp +++ b/Code/ForceField/UFF/Inversion.cpp @@ -13,7 +13,7 @@ #include "Inversion.h" #include "Params.h" -#include +#include #include #include #include diff --git a/Code/ForceField/UFF/Nonbonded.cpp b/Code/ForceField/UFF/Nonbonded.cpp index e1fabf55d..0848b2637 100644 --- a/Code/ForceField/UFF/Nonbonded.cpp +++ b/Code/ForceField/UFF/Nonbonded.cpp @@ -10,7 +10,7 @@ // #include "Nonbonded.h" #include "Params.h" -#include +#include #include #include #include diff --git a/Code/ForceField/UFF/TorsionAngle.cpp b/Code/ForceField/UFF/TorsionAngle.cpp index 85eec6496..9d991f976 100644 --- a/Code/ForceField/UFF/TorsionAngle.cpp +++ b/Code/ForceField/UFF/TorsionAngle.cpp @@ -10,7 +10,7 @@ // #include "TorsionAngle.h" #include "Params.h" -#include +#include #include #include diff --git a/Code/ForceField/UFF/testUFFForceField.cpp b/Code/ForceField/UFF/testUFFForceField.cpp index ea53ef502..d2c5d2aaf 100644 --- a/Code/ForceField/UFF/testUFFForceField.cpp +++ b/Code/ForceField/UFF/testUFFForceField.cpp @@ -11,7 +11,7 @@ #include #include #include -#include +#include #include #include #include diff --git a/Code/Geometry/Transform2D.cpp b/Code/Geometry/Transform2D.cpp index 69528af87..9ffc1e474 100644 --- a/Code/Geometry/Transform2D.cpp +++ b/Code/Geometry/Transform2D.cpp @@ -12,7 +12,7 @@ #include #include "Transform.h" #include "Transform2D.h" -#include +#include #include "point.h" namespace RDGeom { diff --git a/Code/Geometry/Transform3D.cpp b/Code/Geometry/Transform3D.cpp index f72dfcf0f..92558a710 100644 --- a/Code/Geometry/Transform3D.cpp +++ b/Code/Geometry/Transform3D.cpp @@ -13,7 +13,7 @@ #include #include "Transform.h" #include "Transform3D.h" -#include +#include #include "point.h" namespace RDGeom { diff --git a/Code/Geometry/Utils.h b/Code/Geometry/Utils.h index ce2d7a95c..dc6d92d2f 100644 --- a/Code/Geometry/Utils.h +++ b/Code/Geometry/Utils.h @@ -11,7 +11,7 @@ #ifndef __RD_DIST_UTILS_H__ #define __RD_DIST_UTILS_H__ -#include +#include #include "point.h" #include "Transform3D.h" #include "Transform.h" diff --git a/Code/Geometry/testGrid.cpp b/Code/Geometry/testGrid.cpp index d70bc16a9..ec544823f 100644 --- a/Code/Geometry/testGrid.cpp +++ b/Code/Geometry/testGrid.cpp @@ -19,7 +19,7 @@ #include #include #include -#include +#include using namespace RDGeom; using namespace RDKit; diff --git a/Code/Geometry/testTransforms.cpp b/Code/Geometry/testTransforms.cpp index 7cfa84b65..6b0091aa0 100644 --- a/Code/Geometry/testTransforms.cpp +++ b/Code/Geometry/testTransforms.cpp @@ -17,7 +17,7 @@ #include "Transform3D.h" #include "point.h" #include -#include +#include using namespace RDGeom; using namespace std; diff --git a/Code/GraphMol/Atom.cpp b/Code/GraphMol/Atom.cpp index 493f47269..6ce95a81d 100644 --- a/Code/GraphMol/Atom.cpp +++ b/Code/GraphMol/Atom.cpp @@ -7,7 +7,7 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #include "ROMol.h" #include "Atom.h" diff --git a/Code/GraphMol/Depictor/Basement/DepictorDLL.cpp b/Code/GraphMol/Depictor/Basement/DepictorDLL.cpp index 5af7bd431..ceb282517 100644 --- a/Code/GraphMol/Depictor/Basement/DepictorDLL.cpp +++ b/Code/GraphMol/Depictor/Basement/DepictorDLL.cpp @@ -12,7 +12,7 @@ #include "Depictor.h" #include #include -#include +#include namespace RDKit { #ifdef WIN32_DLLBUILD //************************************************************************************* diff --git a/Code/GraphMol/Depictor/DepictUtils.cpp b/Code/GraphMol/Depictor/DepictUtils.cpp index 8dd08f371..2266ff9bc 100644 --- a/Code/GraphMol/Depictor/DepictUtils.cpp +++ b/Code/GraphMol/Depictor/DepictUtils.cpp @@ -9,7 +9,7 @@ // of the RDKit source tree. // #include -#include +#include #include #include #include "DepictUtils.h" diff --git a/Code/GraphMol/Depictor/EmbeddedFrag.cpp b/Code/GraphMol/Depictor/EmbeddedFrag.cpp index c501a461e..f1a6b5f1f 100644 --- a/Code/GraphMol/Depictor/EmbeddedFrag.cpp +++ b/Code/GraphMol/Depictor/EmbeddedFrag.cpp @@ -10,7 +10,7 @@ #include #include #include -#include +#include #include #include #include diff --git a/Code/GraphMol/Depictor/RDDepictor.cpp b/Code/GraphMol/Depictor/RDDepictor.cpp index a9098c71a..797dbc490 100644 --- a/Code/GraphMol/Depictor/RDDepictor.cpp +++ b/Code/GraphMol/Depictor/RDDepictor.cpp @@ -18,7 +18,7 @@ #include #include #include -#include +#include #include #include #include diff --git a/Code/GraphMol/Depictor/testDepictor.cpp b/Code/GraphMol/Depictor/testDepictor.cpp index 6222f1fdb..5ac94395a 100644 --- a/Code/GraphMol/Depictor/testDepictor.cpp +++ b/Code/GraphMol/Depictor/testDepictor.cpp @@ -26,7 +26,7 @@ #include #include #include -#include +#include #include typedef boost::tokenizer> tokenizer; diff --git a/Code/GraphMol/Descriptors/AUTOCORR2D.cpp b/Code/GraphMol/Descriptors/AUTOCORR2D.cpp index 564557c8f..36ced9556 100644 --- a/Code/GraphMol/Descriptors/AUTOCORR2D.cpp +++ b/Code/GraphMol/Descriptors/AUTOCORR2D.cpp @@ -35,7 +35,7 @@ #include "AUTOCORR2D.h" #include "MolData3Ddescriptors.h" -#include +#include #include namespace RDKit { diff --git a/Code/GraphMol/Descriptors/EEM.cpp b/Code/GraphMol/Descriptors/EEM.cpp index e4fcf3627..8aafaf935 100644 --- a/Code/GraphMol/Descriptors/EEM.cpp +++ b/Code/GraphMol/Descriptors/EEM.cpp @@ -32,7 +32,7 @@ #include "EEM.h" #include "MolData3Ddescriptors.h" -#include +#include #include #include diff --git a/Code/GraphMol/Descriptors/MORSE.cpp b/Code/GraphMol/Descriptors/MORSE.cpp index ab1011d27..6d792c7eb 100644 --- a/Code/GraphMol/Descriptors/MORSE.cpp +++ b/Code/GraphMol/Descriptors/MORSE.cpp @@ -36,7 +36,7 @@ #include "MORSE.h" #include "MolData3Ddescriptors.h" -#include +#include // data checked using book Todeschini R., Consonni V. - Molecular Descriptors // for Chemoinformatics 2009 atomic properties page 21/22 diff --git a/Code/GraphMol/Descriptors/RDF.cpp b/Code/GraphMol/Descriptors/RDF.cpp index d49bbebf7..1ae7a7117 100644 --- a/Code/GraphMol/Descriptors/RDF.cpp +++ b/Code/GraphMol/Descriptors/RDF.cpp @@ -36,7 +36,7 @@ #include "RDF.h" #include "MolData3Ddescriptors.h" -#include +#include namespace RDKit { namespace Descriptors { diff --git a/Code/GraphMol/Descriptors/WHIM.cpp b/Code/GraphMol/Descriptors/WHIM.cpp index 582e2bf8d..fc8c71e35 100644 --- a/Code/GraphMol/Descriptors/WHIM.cpp +++ b/Code/GraphMol/Descriptors/WHIM.cpp @@ -36,7 +36,7 @@ #include "WHIM.h" #include "MolData3Ddescriptors.h" -#include +#include #include #include diff --git a/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp b/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp index 216b5131a..d18e6bd66 100644 --- a/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp +++ b/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp @@ -23,7 +23,7 @@ #include #include "BoundsMatrixBuilder.h" #include "Embedder.h" -#include +#include #include #include #include @@ -32,7 +32,7 @@ #include #include #include -#include +#include #include #include diff --git a/Code/GraphMol/FMCS/DebugTrace.h b/Code/GraphMol/FMCS/DebugTrace.h index 1c452d906..4fc151ff4 100644 --- a/Code/GraphMol/FMCS/DebugTrace.h +++ b/Code/GraphMol/FMCS/DebugTrace.h @@ -9,10 +9,10 @@ // #include #pragma once -#include -#include -#include -#include +#include +#include +#include +#include #include #ifdef _MSC_VER #define _CRT_SECURE_NO_WARNINGS diff --git a/Code/GraphMol/FMCS/FMCS.cpp b/Code/GraphMol/FMCS/FMCS.cpp index 0e8d23b2b..4ec6b967d 100644 --- a/Code/GraphMol/FMCS/FMCS.cpp +++ b/Code/GraphMol/FMCS/FMCS.cpp @@ -9,7 +9,7 @@ // #include #include -#include +#include #include #include diff --git a/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp b/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp index a046d1b4a..04a0ff039 100644 --- a/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp +++ b/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp @@ -9,7 +9,7 @@ // #include #include -#include +#include #include "../QueryAtom.h" #include "../QueryBond.h" #include "../SmilesParse/SmilesWrite.h" diff --git a/Code/GraphMol/FMCS/RingMatchTableSet.h b/Code/GraphMol/FMCS/RingMatchTableSet.h index 480f69726..5e5425e6e 100644 --- a/Code/GraphMol/FMCS/RingMatchTableSet.h +++ b/Code/GraphMol/FMCS/RingMatchTableSet.h @@ -10,7 +10,7 @@ #include #include #include -#include +#include #include "SubstructMatchCustom.h" namespace RDKit { diff --git a/Code/GraphMol/FMCS/Test/testFMCS.cpp b/Code/GraphMol/FMCS/Test/testFMCS.cpp index 0403cc6d4..8e41b1659 100644 --- a/Code/GraphMol/FMCS/Test/testFMCS.cpp +++ b/Code/GraphMol/FMCS/Test/testFMCS.cpp @@ -40,9 +40,9 @@ #include #endif -#include -#include -#include +#include +#include +#include #include #include #include "../../RDKitBase.h" diff --git a/Code/GraphMol/FMCS/testFMCS_Unit.cpp b/Code/GraphMol/FMCS/testFMCS_Unit.cpp index 817502263..4e2c087a8 100644 --- a/Code/GraphMol/FMCS/testFMCS_Unit.cpp +++ b/Code/GraphMol/FMCS/testFMCS_Unit.cpp @@ -39,9 +39,9 @@ #include #endif -#include -#include -#include +#include +#include +#include #include #include #include diff --git a/Code/GraphMol/FileParsers/MolFileParser.cpp b/Code/GraphMol/FileParsers/MolFileParser.cpp index 22204ad61..d1cd9be8d 100644 --- a/Code/GraphMol/FileParsers/MolFileParser.cpp +++ b/Code/GraphMol/FileParsers/MolFileParser.cpp @@ -45,7 +45,7 @@ using std::smatch; #endif #include #include -#include +#include #include using namespace RDKit::SGroupParsing; diff --git a/Code/GraphMol/FileParsers/PDBParser.cpp b/Code/GraphMol/FileParsers/PDBParser.cpp index 7bbe0a14c..7668d1152 100644 --- a/Code/GraphMol/FileParsers/PDBParser.cpp +++ b/Code/GraphMol/FileParsers/PDBParser.cpp @@ -7,8 +7,8 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include -#include +#include +#include #include #include #include diff --git a/Code/GraphMol/FileParsers/SequenceParsers.cpp b/Code/GraphMol/FileParsers/SequenceParsers.cpp index efd5a6796..4cae8a269 100644 --- a/Code/GraphMol/FileParsers/SequenceParsers.cpp +++ b/Code/GraphMol/FileParsers/SequenceParsers.cpp @@ -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 diff --git a/Code/GraphMol/FileParsers/SequenceWriters.cpp b/Code/GraphMol/FileParsers/SequenceWriters.cpp index f3b38002b..c1135737a 100644 --- a/Code/GraphMol/FileParsers/SequenceWriters.cpp +++ b/Code/GraphMol/FileParsers/SequenceWriters.cpp @@ -7,8 +7,8 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include -#include +#include +#include #include #include "SequenceWriters.h" diff --git a/Code/GraphMol/FileParsers/testSequence.cpp b/Code/GraphMol/FileParsers/testSequence.cpp index 6d866eb73..7a33becfa 100644 --- a/Code/GraphMol/FileParsers/testSequence.cpp +++ b/Code/GraphMol/FileParsers/testSequence.cpp @@ -1,6 +1,6 @@ #include -#include -#include +#include +#include #include #include diff --git a/Code/GraphMol/Fingerprints/FingerprintUtil.cpp b/Code/GraphMol/Fingerprints/FingerprintUtil.cpp index 57c52c252..9224aa7df 100644 --- a/Code/GraphMol/Fingerprints/FingerprintUtil.cpp +++ b/Code/GraphMol/Fingerprints/FingerprintUtil.cpp @@ -38,7 +38,7 @@ #include #include #include -#include +#include #include namespace RDKit { @@ -447,4 +447,4 @@ std::vector generateBondHashes( } // namespace RDKitFPUtils -} // namespace RDKit \ No newline at end of file +} // namespace RDKit diff --git a/Code/GraphMol/Fingerprints/Fingerprints.cpp b/Code/GraphMol/Fingerprints/Fingerprints.cpp index a99f37717..8243d43da 100644 --- a/Code/GraphMol/Fingerprints/Fingerprints.cpp +++ b/Code/GraphMol/Fingerprints/Fingerprints.cpp @@ -22,7 +22,7 @@ #include #include #include -#include +#include #include #include #include diff --git a/Code/GraphMol/Fingerprints/MHFP.cpp b/Code/GraphMol/Fingerprints/MHFP.cpp index a9ead8f5e..f27442eac 100644 --- a/Code/GraphMol/Fingerprints/MHFP.cpp +++ b/Code/GraphMol/Fingerprints/MHFP.cpp @@ -15,8 +15,8 @@ #include #include #include -#include -#include +#include +#include #include #include @@ -249,4 +249,4 @@ std::vector MHFPEncoder::EncodeSECFP( } } // namespace MHFPFingerprints -} // namespace RDKit \ No newline at end of file +} // namespace RDKit diff --git a/Code/GraphMol/Fingerprints/PatternFingerprints.cpp b/Code/GraphMol/Fingerprints/PatternFingerprints.cpp index bb0d541aa..77701dbce 100644 --- a/Code/GraphMol/Fingerprints/PatternFingerprints.cpp +++ b/Code/GraphMol/Fingerprints/PatternFingerprints.cpp @@ -19,7 +19,7 @@ #include #include #include -#include +#include #include #include #include diff --git a/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp b/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp index eac4a88ea..6465bd8d2 100644 --- a/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp +++ b/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp @@ -25,7 +25,7 @@ #include #include #include -#include +#include #include #include #include diff --git a/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp b/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp index 1fdbfba07..53d8cd562 100644 --- a/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp +++ b/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp @@ -22,7 +22,7 @@ #include #include #include -#include +#include using namespace RDGeom; using namespace RDKit; diff --git a/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp b/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp index 4b536c567..f3045f1c4 100644 --- a/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp +++ b/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp @@ -17,7 +17,7 @@ #include #include #include -#include +#include #include #include #include diff --git a/Code/GraphMol/FragCatalog/test1.cpp b/Code/GraphMol/FragCatalog/test1.cpp index ccd43ab76..7190b40fa 100644 --- a/Code/GraphMol/FragCatalog/test1.cpp +++ b/Code/GraphMol/FragCatalog/test1.cpp @@ -21,7 +21,7 @@ #include "FragCatParams.h" #include "FragCatalogUtils.h" #include "FragFPGenerator.h" -#include +#include #include #include diff --git a/Code/GraphMol/MMPA/MMPA.cpp b/Code/GraphMol/MMPA/MMPA.cpp index 534b175a6..7630ee63a 100644 --- a/Code/GraphMol/MMPA/MMPA.cpp +++ b/Code/GraphMol/MMPA/MMPA.cpp @@ -10,7 +10,7 @@ #include #include #include -#include +#include #include "../MolOps.h" #include "../SmilesParse/SmilesParse.h" diff --git a/Code/GraphMol/MMPA/MMPA_UnitTest.cpp b/Code/GraphMol/MMPA/MMPA_UnitTest.cpp index 85f644bee..691a70502 100644 --- a/Code/GraphMol/MMPA/MMPA_UnitTest.cpp +++ b/Code/GraphMol/MMPA/MMPA_UnitTest.cpp @@ -42,9 +42,9 @@ #include #endif -#include -#include -#include +#include +#include +#include #include #include #include diff --git a/Code/GraphMol/MolCatalog/test1.cpp b/Code/GraphMol/MolCatalog/test1.cpp index 6508c4fae..bc874eef5 100644 --- a/Code/GraphMol/MolCatalog/test1.cpp +++ b/Code/GraphMol/MolCatalog/test1.cpp @@ -13,7 +13,7 @@ #include "MolCatalogEntry.h" #include "MolCatalogParams.h" -#include +#include #include #include diff --git a/Code/GraphMol/MolHash/hashfunctions.cpp b/Code/GraphMol/MolHash/hashfunctions.cpp index 73690ce15..ae60bef34 100644 --- a/Code/GraphMol/MolHash/hashfunctions.cpp +++ b/Code/GraphMol/MolHash/hashfunctions.cpp @@ -10,9 +10,9 @@ /*==============================================*/ #define _CRT_SECURE_NO_WARNINGS -#include -#include -#include +#include +#include +#include #include #include diff --git a/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp b/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp index 8450dd690..6de5a048c 100644 --- a/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp +++ b/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp @@ -36,7 +36,7 @@ #include #include #include -#include +#include #include #include diff --git a/Code/GraphMol/SLNParse/lex.yysln.cpp.cmake b/Code/GraphMol/SLNParse/lex.yysln.cpp.cmake index cfa37b90d..acce72ee0 100644 --- a/Code/GraphMol/SLNParse/lex.yysln.cpp.cmake +++ b/Code/GraphMol/SLNParse/lex.yysln.cpp.cmake @@ -17,10 +17,10 @@ /* First, we deal with platform-specific or compiler-specific issues. */ /* begin standard C headers. */ -#include -#include -#include -#include +#include +#include +#include +#include /* end standard C headers. */ @@ -40,7 +40,7 @@ #define __STDC_LIMIT_MACROS 1 #endif -#include +#include typedef int8_t flex_int8_t; typedef uint8_t flex_uint8_t; typedef int16_t flex_int16_t; diff --git a/Code/GraphMol/SLNParse/sln.tab.cpp.cmake b/Code/GraphMol/SLNParse/sln.tab.cpp.cmake index ab637e7d3..152ea23a5 100644 --- a/Code/GraphMol/SLNParse/sln.tab.cpp.cmake +++ b/Code/GraphMol/SLNParse/sln.tab.cpp.cmake @@ -295,7 +295,7 @@ typedef short yytype_int16; # elif defined size_t # define YYSIZE_T size_t # elif ! defined YYSIZE_T -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ # define YYSIZE_T size_t # else # define YYSIZE_T unsigned @@ -388,7 +388,7 @@ typedef short yytype_int16; # else # define YYSTACK_ALLOC alloca # if ! defined _ALLOCA_H && ! defined EXIT_SUCCESS -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ /* Use EXIT_SUCCESS as a witness for stdlib.h. */ # ifndef EXIT_SUCCESS # define EXIT_SUCCESS 0 @@ -417,7 +417,7 @@ typedef short yytype_int16; # if (defined __cplusplus && ! defined EXIT_SUCCESS \ && ! ((defined YYMALLOC || defined malloc) \ && (defined YYFREE || defined free))) -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ # ifndef EXIT_SUCCESS # define EXIT_SUCCESS 0 # endif @@ -803,7 +803,7 @@ while (0) #if YYDEBUG # ifndef YYFPRINTF -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ # define YYFPRINTF fprintf # endif diff --git a/Code/GraphMol/SmilesParse/lex.yysmarts.cpp.cmake b/Code/GraphMol/SmilesParse/lex.yysmarts.cpp.cmake index fb7694159..c427943ce 100644 --- a/Code/GraphMol/SmilesParse/lex.yysmarts.cpp.cmake +++ b/Code/GraphMol/SmilesParse/lex.yysmarts.cpp.cmake @@ -239,10 +239,10 @@ /* First, we deal with platform-specific or compiler-specific issues. */ /* begin standard C headers. */ -#include -#include -#include -#include +#include +#include +#include +#include /* end standard C headers. */ @@ -262,7 +262,7 @@ #define __STDC_LIMIT_MACROS 1 #endif -#include +#include typedef int8_t flex_int8_t; typedef uint8_t flex_uint8_t; typedef int16_t flex_int16_t; diff --git a/Code/GraphMol/SmilesParse/lex.yysmiles.cpp.cmake b/Code/GraphMol/SmilesParse/lex.yysmiles.cpp.cmake index 81c41ec49..89607cf5e 100644 --- a/Code/GraphMol/SmilesParse/lex.yysmiles.cpp.cmake +++ b/Code/GraphMol/SmilesParse/lex.yysmiles.cpp.cmake @@ -239,10 +239,10 @@ /* First, we deal with platform-specific or compiler-specific issues. */ /* begin standard C headers. */ -#include -#include -#include -#include +#include +#include +#include +#include /* end standard C headers. */ @@ -262,7 +262,7 @@ #define __STDC_LIMIT_MACROS 1 #endif -#include +#include typedef int8_t flex_int8_t; typedef uint8_t flex_uint8_t; typedef int16_t flex_int16_t; diff --git a/Code/GraphMol/SmilesParse/smarts.tab.cpp.cmake b/Code/GraphMol/SmilesParse/smarts.tab.cpp.cmake index 40fbced0f..8fb7881a2 100644 --- a/Code/GraphMol/SmilesParse/smarts.tab.cpp.cmake +++ b/Code/GraphMol/SmilesParse/smarts.tab.cpp.cmake @@ -271,7 +271,7 @@ typedef short int yytype_int16; # elif defined size_t # define YYSIZE_T size_t # elif ! defined YYSIZE_T -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ # define YYSIZE_T size_t # else # define YYSIZE_T unsigned int @@ -364,7 +364,7 @@ typedef short int yytype_int16; # else # define YYSTACK_ALLOC alloca # if ! defined _ALLOCA_H && ! defined EXIT_SUCCESS -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ /* Use EXIT_SUCCESS as a witness for stdlib.h. */ # ifndef EXIT_SUCCESS # define EXIT_SUCCESS 0 @@ -393,7 +393,7 @@ typedef short int yytype_int16; # if (defined __cplusplus && ! defined EXIT_SUCCESS \ && ! ((defined YYMALLOC || defined malloc) \ && (defined YYFREE || defined free))) -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ # ifndef EXIT_SUCCESS # define EXIT_SUCCESS 0 # endif @@ -903,7 +903,7 @@ while (0) #if YYDEBUG # ifndef YYFPRINTF -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ # define YYFPRINTF fprintf # endif diff --git a/Code/GraphMol/SmilesParse/smiles.tab.cpp.cmake b/Code/GraphMol/SmilesParse/smiles.tab.cpp.cmake index 47f828fd9..719a9a61f 100644 --- a/Code/GraphMol/SmilesParse/smiles.tab.cpp.cmake +++ b/Code/GraphMol/SmilesParse/smiles.tab.cpp.cmake @@ -273,7 +273,7 @@ typedef short yytype_int16; # elif defined size_t # define YYSIZE_T size_t # elif ! defined YYSIZE_T -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ # define YYSIZE_T size_t # else # define YYSIZE_T unsigned @@ -366,7 +366,7 @@ typedef short yytype_int16; # else # define YYSTACK_ALLOC alloca # if ! defined _ALLOCA_H && ! defined EXIT_SUCCESS -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ /* Use EXIT_SUCCESS as a witness for stdlib.h. */ # ifndef EXIT_SUCCESS # define EXIT_SUCCESS 0 @@ -395,7 +395,7 @@ typedef short yytype_int16; # if (defined __cplusplus && ! defined EXIT_SUCCESS \ && ! ((defined YYMALLOC || defined malloc) \ && (defined YYFREE || defined free))) -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ # ifndef EXIT_SUCCESS # define EXIT_SUCCESS 0 # endif @@ -761,7 +761,7 @@ while (0) #if YYDEBUG # ifndef YYFPRINTF -# include /* INFRINGES ON USER NAME SPACE */ +# include /* INFRINGES ON USER NAME SPACE */ # define YYFPRINTF fprintf # endif diff --git a/Code/GraphMol/StructChecker/AtomSymbolMatch.cpp b/Code/GraphMol/StructChecker/AtomSymbolMatch.cpp index 5a7ccb4b4..cd57df718 100644 --- a/Code/GraphMol/StructChecker/AtomSymbolMatch.cpp +++ b/Code/GraphMol/StructChecker/AtomSymbolMatch.cpp @@ -12,8 +12,8 @@ #define _GNU_SOURCE #endif -#include -#include +#include +#include #include "Pattern.h" namespace RDKit { diff --git a/Code/GraphMol/StructChecker/Stereo.cpp b/Code/GraphMol/StructChecker/Stereo.cpp index 51bad8e0a..25caa5aeb 100644 --- a/Code/GraphMol/StructChecker/Stereo.cpp +++ b/Code/GraphMol/StructChecker/Stereo.cpp @@ -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 "../RDKitBase.h" diff --git a/Code/GraphMol/StructChecker/StructCheckerOptions.cpp b/Code/GraphMol/StructChecker/StructCheckerOptions.cpp index 34d231794..bf41497ff 100644 --- a/Code/GraphMol/StructChecker/StructCheckerOptions.cpp +++ b/Code/GraphMol/StructChecker/StructCheckerOptions.cpp @@ -7,9 +7,9 @@ // which is included in the file license.txt, found at the root // of the RDKit source tree. // -#include +#include #include -#include +#include #include #include #include diff --git a/Code/GraphMol/Wrap/MolOps.cpp b/Code/GraphMol/Wrap/MolOps.cpp index b8c880e24..f37d31a0b 100644 --- a/Code/GraphMol/Wrap/MolOps.cpp +++ b/Code/GraphMol/Wrap/MolOps.cpp @@ -14,7 +14,7 @@ #include #include -#include +#include #include #include diff --git a/Code/GraphMol/bulktest.cpp b/Code/GraphMol/bulktest.cpp index 81d1e8c62..c491b1998 100644 --- a/Code/GraphMol/bulktest.cpp +++ b/Code/GraphMol/bulktest.cpp @@ -16,7 +16,7 @@ #include #include -#include +#include using namespace RDKit; using namespace std; diff --git a/Code/GraphMol/itertest.cpp b/Code/GraphMol/itertest.cpp index b2b7b415a..f6011ddc9 100644 --- a/Code/GraphMol/itertest.cpp +++ b/Code/GraphMol/itertest.cpp @@ -15,7 +15,7 @@ #include #include -#include +#include #include using namespace RDKit; diff --git a/Code/GraphMol/sanitTest.cpp b/Code/GraphMol/sanitTest.cpp index 1635ab559..27572b725 100644 --- a/Code/GraphMol/sanitTest.cpp +++ b/Code/GraphMol/sanitTest.cpp @@ -15,7 +15,7 @@ #include #include -#include +#include #include #include #include diff --git a/Code/GraphMol/testPickler.cpp b/Code/GraphMol/testPickler.cpp index e58d2ac1e..0ee566f18 100644 --- a/Code/GraphMol/testPickler.cpp +++ b/Code/GraphMol/testPickler.cpp @@ -23,7 +23,7 @@ #include -#include +#include #include #include #include diff --git a/Code/GraphMol/testPicklerGlobalSettings.cpp b/Code/GraphMol/testPicklerGlobalSettings.cpp index 0023c331a..81d8f212f 100644 --- a/Code/GraphMol/testPicklerGlobalSettings.cpp +++ b/Code/GraphMol/testPicklerGlobalSettings.cpp @@ -44,7 +44,7 @@ #include -#include +#include #include #include #include diff --git a/Code/Numerics/Alignment/testAlignment.cpp b/Code/Numerics/Alignment/testAlignment.cpp index 213f79518..30fc0a6c9 100644 --- a/Code/Numerics/Alignment/testAlignment.cpp +++ b/Code/Numerics/Alignment/testAlignment.cpp @@ -15,7 +15,7 @@ #include #include -#include +#include using namespace RDNumeric; using namespace RDNumeric::Alignments; diff --git a/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp b/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp index 13d6bbbcb..b1e41296c 100644 --- a/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp +++ b/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp @@ -13,7 +13,7 @@ #include #include #include -#include +#include #define MAX_ITERATIONS 1000 #define TOLERANCE 0.001 diff --git a/Code/Numerics/Optimizer/BFGSOpt.h b/Code/Numerics/Optimizer/BFGSOpt.h index 3b3538fa3..6e5dd3052 100644 --- a/Code/Numerics/Optimizer/BFGSOpt.h +++ b/Code/Numerics/Optimizer/BFGSOpt.h @@ -8,7 +8,7 @@ // of the RDKit source tree. // #include -#include +#include #include #include #include diff --git a/Code/Numerics/Optimizer/testOptimizer.cpp b/Code/Numerics/Optimizer/testOptimizer.cpp index 179e5a4ba..adfeefbd4 100644 --- a/Code/Numerics/Optimizer/testOptimizer.cpp +++ b/Code/Numerics/Optimizer/testOptimizer.cpp @@ -10,7 +10,7 @@ // #include #include -#include +#include #include #include "BFGSOpt.h" diff --git a/Code/Numerics/Vector.h b/Code/Numerics/Vector.h index 84df0bb3d..6b9bfc208 100644 --- a/Code/Numerics/Vector.h +++ b/Code/Numerics/Vector.h @@ -13,12 +13,12 @@ #include #include -#include +#include #include #include #include #include -#include +#include #include #include diff --git a/Code/Numerics/testConrec.cpp b/Code/Numerics/testConrec.cpp index 85c479afe..15a66c180 100644 --- a/Code/Numerics/testConrec.cpp +++ b/Code/Numerics/testConrec.cpp @@ -16,7 +16,7 @@ #include #include #include -#include +#include #include #include diff --git a/Code/Numerics/testMatrices.cpp b/Code/Numerics/testMatrices.cpp index 05d119e87..92d95e1c8 100644 --- a/Code/Numerics/testMatrices.cpp +++ b/Code/Numerics/testMatrices.cpp @@ -14,7 +14,7 @@ #include #include #include -#include +#include #include using namespace RDNumeric; diff --git a/Code/Query/test.cpp b/Code/Query/test.cpp index 2cde70f70..aebfbde07 100644 --- a/Code/Query/test.cpp +++ b/Code/Query/test.cpp @@ -12,7 +12,7 @@ #include #include "QueryObjects.h" #include -#include +#include #include using namespace std; diff --git a/Code/RDGeneral/Invariant.h b/Code/RDGeneral/Invariant.h index 0327d679a..fce615cea 100644 --- a/Code/RDGeneral/Invariant.h +++ b/Code/RDGeneral/Invariant.h @@ -13,7 +13,7 @@ #ifndef __RD_INVARIANT_H__ #define __RD_INVARIANT_H__ -#include +#include #include #include #include diff --git a/Code/RDGeneral/RDLog.cpp b/Code/RDGeneral/RDLog.cpp index 8a62eb0cc..148fbb962 100644 --- a/Code/RDGeneral/RDLog.cpp +++ b/Code/RDGeneral/RDLog.cpp @@ -13,7 +13,7 @@ #if 1 #include #include -#include +#include std::shared_ptr rdAppLog = nullptr; std::shared_ptr rdDebugLog = nullptr; diff --git a/Code/RDGeneral/hash/detail/hash_float.hpp b/Code/RDGeneral/hash/detail/hash_float.hpp index fbba50b23..b64eb5315 100644 --- a/Code/RDGeneral/hash/detail/hash_float.hpp +++ b/Code/RDGeneral/hash/detail/hash_float.hpp @@ -52,10 +52,10 @@ #endif // On OpenBSD, numeric_limits is not reliable for long doubles, but -// the macros defined in are. +// the macros defined in are. #if defined(__OpenBSD__) -#include +#include #endif namespace gboost diff --git a/Code/RDGeneral/utils.cpp b/Code/RDGeneral/utils.cpp index fa911aaa3..ac52254dd 100644 --- a/Code/RDGeneral/utils.cpp +++ b/Code/RDGeneral/utils.cpp @@ -9,7 +9,7 @@ // of the RDKit source tree. // #include "utils.h" -#include +#include #include #include diff --git a/Code/SimDivPickers/pickersCLI.cpp b/Code/SimDivPickers/pickersCLI.cpp index 8d107d848..b9751ecc7 100644 --- a/Code/SimDivPickers/pickersCLI.cpp +++ b/Code/SimDivPickers/pickersCLI.cpp @@ -1,6 +1,6 @@ /* MaxMinPicker.cpp */ -#include -#include +#include +#include #include #include diff --git a/Contrib/PBF/PBFRDKit.h b/Contrib/PBF/PBFRDKit.h index ab0a36e75..9a75cdbe2 100644 --- a/Contrib/PBF/PBFRDKit.h +++ b/Contrib/PBF/PBFRDKit.h @@ -50,7 +50,7 @@ #include #include #include -#include +#include using namespace RDKit; diff --git a/External/FreeSASA/Wrap/rdFreeSASA.cpp b/External/FreeSASA/Wrap/rdFreeSASA.cpp index 74df01b54..1aaa29910 100644 --- a/External/FreeSASA/Wrap/rdFreeSASA.cpp +++ b/External/FreeSASA/Wrap/rdFreeSASA.cpp @@ -36,7 +36,7 @@ //#include //#include //#include -#include +#include #include #include