miscellaneous updates (#4284)

* Remove accidentally tracked files and unset x flag

* Ignore ComicNeue

* Unify test tag to `reader`

* Trivial destructors

* Bump CMAKE_CXX_STANDARD to 14 (#4165)

.gitignore

@@ -4,6 +4,8 @@
 /Code/JavaWrappers/gmwrapper/build/*
 /Code/JavaWrappers/gmwrapper/build-test/*
 /Code/JavaWrappers/csharp_wrapper/swig_csharp
+/Data/Fonts/ComicNeue-*
+/Data/Fonts/OFL.txt
 
 #- Eclipse files
 /.project
@@ -114,4 +116,4 @@ __pycache__/
 # JS distribution or temp files
 Code/MinimalLib/dist
 MAIN_RDKIT_README*
-node_modules
+node_modules

CMakeLists.txt

@@ -11,7 +11,7 @@ ENDIF(NOT CMAKE_BUILD_TYPE)
 # Enable CTest
 include(CTest)
 
-set(CMAKE_CXX_STANDARD 11)
+set(CMAKE_CXX_STANDARD 14)
 set(CMAKE_CXX_STANDARD_REQUIRED ON)
 
 set(CMAKE_MODULE_PATH

Code/ChemicalFeatures/FreeChemicalFeature.h

@@ -50,7 +50,7 @@ class RDKIT_CHEMICALFEATURES_EXPORT FreeChemicalFeature
         d_type(other.getType()),
         d_position(other.getPos()) {}
 
-  ~FreeChemicalFeature() override {}
+  ~FreeChemicalFeature() override = default;
 
   //! return our id
   int getId() const override { return d_id; }

Code/DataStructs/DatastructsException.h

@@ -22,7 +22,7 @@ class RDKIT_DATASTRUCTS_EXPORT DatastructsException : public std::exception {
   DatastructsException(std::string msg) : _msg(std::move(msg)) {}
   //! get the error message
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~DatastructsException() noexcept override {}
+  ~DatastructsException() noexcept override = default;
 
  private:
   std::string _msg;

Code/DataStructs/DiscreteDistMat.h

@@ -16,7 +16,7 @@ namespace RDKit {
 class RDKIT_DATASTRUCTS_EXPORT DiscreteDistMat {
  public:
   DiscreteDistMat();
-  ~DiscreteDistMat() {}
+  ~DiscreteDistMat() = default;
   unsigned int getDist(unsigned char v1, unsigned char v2,
                        DiscreteValueVect::DiscreteValueType type);
 

Code/DataStructs/DiscreteValueVect.h

@@ -60,7 +60,7 @@ class RDKIT_DATASTRUCTS_EXPORT DiscreteValueVect {
     initFromText(pkl, len);
   }
 
-  ~DiscreteValueVect() {}
+  ~DiscreteValueVect() = default;
 
   //! return the value at an index
   unsigned int getVal(unsigned int i) const;

Code/DataStructs/SparseIntVect.h

@@ -61,7 +61,7 @@ class SparseIntVect {
   }
 
   //! destructor (doesn't need to do anything)
-  ~SparseIntVect() {}
+  ~SparseIntVect() = default;
 
 #ifdef __clang__
 #pragma clang diagnostic push

Code/Demos/RDKit/Basement/TemplEnum/TemplEnum.h

@@ -17,7 +17,7 @@ class EnumException : public std::exception {
   EnumException(const char *msg) : _msg(msg) {}
   EnumException(const std::string msg) : _msg(msg) {}
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~EnumException() noexcept {}
+  ~EnumException() noexcept = default;
 
  private:
   std::string _msg;

Code/Demos/boost/EBV_err/classA.h

@@ -17,7 +17,7 @@
 class classA {
  public:
   classA() { setProp("useless", 10); }
-  ~classA() {}
+  ~classA() = default;
 
   void printA() const {
     if (hasProp("useless")) {

Code/Demos/boost/EBV_err/classC.h

@@ -21,7 +21,7 @@ typedef std::vector<STR_INT> PAIR_VECT;
 class classC {
  public:
   classC() { setProp("useless", 10); }
-  ~classC() {}
+  ~classC() = default;
 
   void printC() const {
     if (hasProp("useless")) {

Code/Demos/boost/cross_mod_err/classA.h

@@ -17,7 +17,7 @@
 class classA {
  public:
   classA() { setProp("useless", 10); }
-  ~classA() {}
+  ~classA() = default;
 
   void printA() const {
     if (hasProp("useless")) {

Code/Demos/boost/cross_mod_err/classC.h

@@ -21,7 +21,7 @@ typedef std::vector<STR_INT> PAIR_VECT;
 class classC {
  public:
   classC() { setProp("useless", 10); }
-  ~classC() {}
+  ~classC() = default;
 
   void printC() const {
     if (hasProp("useless")) {

Code/ForceField/MMFF/AngleConstraint.h

@@ -43,7 +43,7 @@ class RDKIT_FORCEFIELD_EXPORT AngleConstraintContrib
                          double minAngleDeg, double maxAngleDeg,
                          double forceConst);
 
-  ~AngleConstraintContrib() override {}
+  ~AngleConstraintContrib() override = default;
   double getEnergy(double *pos) const override;
 
   void getGrad(double *pos, double *grad) const override;

Code/ForceField/MMFF/PositionConstraint.h

@@ -36,7 +36,7 @@ class RDKIT_FORCEFIELD_EXPORT PositionConstraintContrib
   PositionConstraintContrib(ForceField *owner, unsigned int idx,
                             double maxDispl, double forceConst);
 
-  ~PositionConstraintContrib() override {}
+  ~PositionConstraintContrib() override = default;
   double getEnergy(double *pos) const override;
 
   void getGrad(double *pos, double *grad) const override;

Code/ForceField/MMFF/TorsionConstraint.h

@@ -45,7 +45,7 @@ class RDKIT_FORCEFIELD_EXPORT TorsionConstraintContrib
                            double minDihedralDeg, double maxDihedralDeg,
                            double forceConst);
 
-  ~TorsionConstraintContrib() override {}
+  ~TorsionConstraintContrib() override = default;
   double getEnergy(double *pos) const override;
 
   void getGrad(double *pos, double *grad) const override;

Code/ForceField/UFF/AngleConstraint.h

@@ -43,7 +43,7 @@ class RDKIT_FORCEFIELD_EXPORT AngleConstraintContrib
                          double minAngleDeg, double maxAngleDeg,
                          double forceConst);
 
-  ~AngleConstraintContrib() override {}
+  ~AngleConstraintContrib() override = default;
   double getEnergy(double *pos) const override;
 
   void getGrad(double *pos, double *grad) const override;

Code/ForceField/UFF/PositionConstraint.h

@@ -36,7 +36,7 @@ class RDKIT_FORCEFIELD_EXPORT PositionConstraintContrib
   PositionConstraintContrib(ForceField *owner, unsigned int idx,
                             double maxDispl, double forceConst);
 
-  ~PositionConstraintContrib() override {}
+  ~PositionConstraintContrib() override = default;
   double getEnergy(double *pos) const override;
 
   void getGrad(double *pos, double *grad) const override;

Code/ForceField/UFF/TorsionConstraint.h

@@ -45,7 +45,7 @@ class RDKIT_FORCEFIELD_EXPORT TorsionConstraintContrib
                            double minDihedralDeg, double maxDihedralDeg,
                            double forceConst);
 
-  ~TorsionConstraintContrib() override {}
+  ~TorsionConstraintContrib() override = default;
   double getEnergy(double *pos) const override;
 
   void getGrad(double *pos, double *grad) const override;

Code/ForceField/Wrap/PyForceField.h

@@ -87,7 +87,7 @@ class PyMMFFMolProperties {
  public:
   PyMMFFMolProperties(RDKit::MMFF::MMFFMolProperties *mp)
       : mmffMolProperties(mp) {}
-  ~PyMMFFMolProperties() {}
+  ~PyMMFFMolProperties() = default;
 
   unsigned int getMMFFAtomType(unsigned int idx) {
     return (unsigned int)(mmffMolProperties->getMMFFAtomType(idx));

Code/Geometry/Grid3D.h

@@ -28,7 +28,7 @@ class RDKIT_RDGEOMETRYLIB_EXPORT GridException : public std::exception {
   GridException(std::string msg) : _msg(std::move(msg)) {}
   //! get the error message
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~GridException() noexcept override {}
+  ~GridException() noexcept override = default;
 
  private:
   std::string _msg;

Code/Geometry/point.h

@@ -60,7 +60,7 @@ class RDKIT_RDGEOMETRYLIB_EXPORT Point3D : public Point {
   Point3D() {}
   Point3D(double xv, double yv, double zv) : x(xv), y(yv), z(zv) {}
 
-  ~Point3D() override {}
+  ~Point3D() override = default;
 
   Point3D(const Point3D &other)
       : Point(other), x(other.x), y(other.y), z(other.z) {}
@@ -276,7 +276,7 @@ class RDKIT_RDGEOMETRYLIB_EXPORT Point2D : public Point {
 
   Point2D() {}
   Point2D(double xv, double yv) : x(xv), y(yv) {}
-  ~Point2D() override {}
+  ~Point2D() override = default;
 
   Point2D(const Point2D &other) : Point(other), x(other.x), y(other.y) {}
   //! construct from a Point3D (ignoring the z coordinate)
@@ -432,7 +432,7 @@ class RDKIT_RDGEOMETRYLIB_EXPORT PointND : public Point {
     };
 #endif
 
-  ~PointND() override {}
+  ~PointND() override = default;
 
   inline double operator[](unsigned int i) const override {
     return dp_storage.get()->getVal(i);

Code/GraphMol/ChemReactions/Enumerate/EnumerationStrategyBase.h

@@ -60,7 +60,7 @@ class RDKIT_CHEMREACTIONS_EXPORT EnumerationStrategyException
   EnumerationStrategyException(const char *msg) : _msg(msg) {}
   EnumerationStrategyException(std::string msg) : _msg(std::move(msg)) {}
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~EnumerationStrategyException() noexcept override {}
+  ~EnumerationStrategyException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/ChemReactions/Reaction.h

@@ -52,7 +52,7 @@ class RDKIT_CHEMREACTIONS_EXPORT ChemicalReactionException
   explicit ChemicalReactionException(const std::string msg) : _msg(msg) {}
   //! get the error message
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~ChemicalReactionException() noexcept override {}
+  ~ChemicalReactionException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/ChemReactions/ReactionParser.h

@@ -57,7 +57,7 @@ class RDKIT_CHEMREACTIONS_EXPORT ChemicalReactionParserException
       : _msg(std::move(msg)) {}
   //! get the error message
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~ChemicalReactionParserException() noexcept override {}
+  ~ChemicalReactionParserException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/ChemReactions/ReactionPickler.h

@@ -31,7 +31,7 @@ class RDKIT_CHEMREACTIONS_EXPORT ReactionPicklerException
   ReactionPicklerException(const char *msg) : _msg(msg) {}
   ReactionPicklerException(const std::string msg) : _msg(msg) {}
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~ReactionPicklerException() noexcept override {}
+  ~ReactionPicklerException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/ChemReactions/SanitizeRxn.h

@@ -47,7 +47,7 @@ class RDKIT_CHEMREACTIONS_EXPORT RxnSanitizeException : public std::exception {
   RxnSanitizeException(const char *msg) : _msg(msg) {}
   RxnSanitizeException(std::string msg) : _msg(std::move(msg)) {}
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~RxnSanitizeException() noexcept override {}
+  ~RxnSanitizeException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/Conformer.h

@@ -30,7 +30,7 @@ class RDKIT_GRAPHMOL_EXPORT ConformerException : public std::exception {
   ConformerException(std::string msg) : _msg(std::move(msg)) {}
   //! get the error message
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~ConformerException() noexcept override {}
+  ~ConformerException() noexcept override = default;
 
  private:
   std::string _msg;
@@ -64,7 +64,7 @@ class RDKIT_GRAPHMOL_EXPORT Conformer : public RDProps {
   Conformer &operator=(const Conformer &other);
 
   //! Destructor
-  ~Conformer() {}
+  ~Conformer() = default;
 
   //! Resize the conformer so that more atoms location can be added.
   //! Useful, for e.g., when adding hydrogens

Code/GraphMol/Depictor/RDDepictor.h

@@ -33,7 +33,7 @@ class RDKIT_DEPICTOR_EXPORT DepictException : public std::exception {
   DepictException(const char *msg) : _msg(msg) {}
   DepictException(const std::string msg) : _msg(msg) {}
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~DepictException() noexcept override {}
+  ~DepictException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/Descriptors/test_data/.ipynb_checkpoints/Untitled-checkpoint.ipynb

@@ -1,6 +0,0 @@
-{
- "cells": [],
- "metadata": {},
- "nbformat": 4,
- "nbformat_minor": 2
-}

Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp

@@ -80,7 +80,7 @@ class ComputedData {
     set15Atoms.resize(nAtoms * nAtoms);
   }
 
-  ~ComputedData() {}
+  ~ComputedData() = default;
 
   DOUBLE_VECT bondLengths;
   SymmIntMatPtr bondAdj;  // bond adjacency matrix

Code/GraphMol/FileParsers/FileParsers.h

@@ -35,7 +35,7 @@ class RDKIT_FILEPARSERS_EXPORT MolFileUnhandledFeatureException
       : _msg(msg) {}
   //! get the error message
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~MolFileUnhandledFeatureException() noexcept override {}
+  ~MolFileUnhandledFeatureException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/FileParsers/file_parsers_catch.cpp

@@ -2244,7 +2244,7 @@ M  END)CTAB"_ctab;
 
 TEST_CASE(
     "Problems parsing SGroup abbreviations with multiple attachment points",
-    "[bug][parser]") {
+    "[bug][reader]") {
   std::string rdbase = getenv("RDBASE");
   SECTION("basics") {
     std::string fName =
@@ -3687,4 +3687,4 @@ M  APO  1   2   2
 M  END
 )CTAB";
   }
-}
+}

Code/GraphMol/Fingerprints/FingerprintGenerator.h

@@ -335,7 +335,7 @@ class RDKIT_FINGERPRINTS_EXPORT UnimplementedFPException
   UnimplementedFPException(std::string msg) : _msg(std::move(msg)) {}
   //! get the error message
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~UnimplementedFPException() noexcept override {}
+  ~UnimplementedFPException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/Fingerprints/MorganGenerator.h

@@ -97,7 +97,7 @@ class RDKIT_FINGERPRINTS_EXPORT MorganBondInvGenerator
 
   std::string infoString() const override;
   MorganBondInvGenerator *clone() const override;
-  ~MorganBondInvGenerator() override {}
+  ~MorganBondInvGenerator() override = default;
 };
 
 /**

Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.h

@@ -58,7 +58,7 @@ using namespace ForceFields::MMFF;
 class RDKIT_FORCEFIELDHELPERS_EXPORT MMFFAtomProperties {
  public:
   MMFFAtomProperties() {}
-  ~MMFFAtomProperties() {}
+  ~MMFFAtomProperties() = default;
   std::uint8_t mmffAtomType{0};
   double mmffFormalCharge{0.0};
   double mmffPartialCharge{0.0};
@@ -76,7 +76,7 @@ class RDKIT_FORCEFIELDHELPERS_EXPORT MMFFMolProperties {
   MMFFMolProperties(ROMol &mol, const std::string &mmffVariant = "MMFF94",
                     std::uint8_t verbosity = MMFF_VERBOSITY_NONE,
                     std::ostream &oStream = std::cout);
-  ~MMFFMolProperties() {}
+  ~MMFFMolProperties() = default;
   unsigned int getMMFFBondType(const Bond *bond);
   unsigned int getMMFFAngleType(const ROMol &mol, const unsigned int idx1,
                                 const unsigned int idx2,

Code/GraphMol/MolAlign/AlignMolecules.h

@@ -29,7 +29,7 @@ class RDKIT_MOLALIGN_EXPORT MolAlignException : public std::exception {
   MolAlignException(const std::string msg) : _msg(msg) {}
   //! get the error message
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~MolAlignException() noexcept override {}
+  ~MolAlignException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/MolAlign/O3AAlignMolecules.h

@@ -69,7 +69,7 @@ class RDKIT_MOLALIGN_EXPORT O3AConstraint {
 class RDKIT_MOLALIGN_EXPORT O3AConstraintVect {
  public:
   O3AConstraintVect() {}
-  ~O3AConstraintVect() {}
+  ~O3AConstraintVect() = default;
   void append(unsigned int prbIdx, unsigned int refIdx, double weight) {
     O3AConstraint *o3aConstraint = new O3AConstraint();
     o3aConstraint->d_idx = d_count;
@@ -131,7 +131,7 @@ enum {
 class RDKIT_MOLALIGN_EXPORT MolHistogram {
  public:
   MolHistogram(const ROMol &mol, const double *dmat, bool cleanupDmat = false);
-  ~MolHistogram() {}
+  ~MolHistogram() = default;
   inline int get(const unsigned int y, const unsigned int x) const {
     PRECONDITION(y < d_h.shape()[0], "Invalid index on MolHistogram");
     PRECONDITION(x < d_h.shape()[1], "Invalid index on MolHistogram");
@@ -154,7 +154,7 @@ class RDKIT_MOLALIGN_EXPORT LAP {
         d_v(dim),
         d_pred(dim),
         d_cost(boost::extents[dim][dim]) {}
-  ~LAP() {}
+  ~LAP() = default;
   int getCost(const unsigned int i, const unsigned int j) {
     PRECONDITION(i < d_cost.shape()[0], "Invalid index on LAP.cost");
     PRECONDITION(j < d_cost.shape()[1], "Invalid index on LAP.cost");
@@ -220,7 +220,7 @@ class RDKIT_MOLALIGN_EXPORT SDM {
     return *this;
   }
   // destructor
-  ~SDM() {}
+  ~SDM() = default;
   void fillFromDist(double threshold,
                     const boost::dynamic_bitset<> &refHvyAtoms,
                     const boost::dynamic_bitset<> &prbHvyAtoms);

Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp

@@ -189,7 +189,7 @@ class PyO3A {
  public:
   PyO3A(O3A *o) : o3a(o){};
   PyO3A(boost::shared_ptr<O3A> o) : o3a(std::move(o)){};
-  ~PyO3A(){};
+  ~PyO3A() = default;
   double align() { return o3a.get()->align(); };
   PyObject *trans() {
     RDGeom::Transform3D trans;

Code/GraphMol/MolBundle.h

@@ -92,7 +92,7 @@ class FixedMolSizeMolBundle : public MolBundle {
   FixedMolSizeMolBundle(const FixedMolSizeMolBundle &other)
       : MolBundle(other) {}
 
-  ~FixedMolSizeMolBundle() override {}
+  ~FixedMolSizeMolBundle() override = default;
 
   //! adds a new molecule and returns the total number of molecules
   //!  enforces that the new molecule has the same number of atoms and bonds

Code/GraphMol/MolChemicalFeatures/FeatureParser.h

@@ -29,7 +29,7 @@ class RDKIT_MOLCHEMICALFEATURES_EXPORT FeatureFileParseException
   unsigned int lineNo() const { return d_lineNo; }
   std::string line() const { return d_line; }
   const char *what() const noexcept override { return d_msg.c_str(); }
-  ~FeatureFileParseException() noexcept override {}
+  ~FeatureFileParseException() noexcept override = default;
 
  private:
   unsigned int d_lineNo;

Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.h

@@ -40,7 +40,7 @@ class RDKIT_MOLCHEMICALFEATURES_EXPORT MolChemicalFeature
         d_id(id),
         d_activeConf(-1) {}
 
-  ~MolChemicalFeature() override {}
+  ~MolChemicalFeature() override = default;
 
   //! \brief return the name of the feature's family
   const std::string &getFamily() const override;

Code/GraphMol/MolDraw2D/Qt/Demo/RDKitSVMainWindow.H

@@ -35,7 +35,7 @@ class RDKitSVMainWindow : public QMainWindow {
 public :
 
   RDKitSVMainWindow( int argc , char **argv );
-  ~RDKitSVMainWindow() {}
+  ~RDKitSVMainWindow() = default;
 
   typedef enum { SMILES , SDF , UNKNOWN } FILE_TYPE;
 

Code/GraphMol/MolPickler.h

@@ -41,7 +41,7 @@ class RDKIT_GRAPHMOL_EXPORT MolPicklerException : public std::exception {
   MolPicklerException(const char *msg) : _msg(msg) {}
   MolPicklerException(const std::string msg) : _msg(msg) {}
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~MolPicklerException() noexcept override {}
+  ~MolPicklerException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/MolStandardize/Fragment.h

@@ -76,7 +76,7 @@ class RDKIT_MOLSTANDARDIZE_EXPORT LargestFragmentChooser {
   LargestFragmentChooser(bool prefer_organic = false)
       : PREFER_ORGANIC(prefer_organic) {}
   LargestFragmentChooser(const LargestFragmentChooser &other);
-  ~LargestFragmentChooser() {}
+  ~LargestFragmentChooser() = default;
 
   ROMol *choose(const ROMol &mol);
   struct Largest {

Code/GraphMol/MolStandardize/Validate.h

@@ -41,7 +41,7 @@ class RDKIT_MOLSTANDARDIZE_EXPORT ValidationErrorInfo : public std::exception {
     BOOST_LOG(rdInfoLog) << d_msg << std::endl;
   }
   const char *what() const noexcept override { return d_msg.c_str(); }
-  ~ValidationErrorInfo() noexcept override {}
+  ~ValidationErrorInfo() noexcept override = default;
 
  private:
   std::string d_msg;

Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp

@@ -208,7 +208,7 @@ MolStandardize::TautomerEnumerator *createDefaultEnumerator() {
 class pyobjFunctor {
  public:
   pyobjFunctor(python::object obj) : dp_obj(std::move(obj)) {}
-  ~pyobjFunctor() {}
+  ~pyobjFunctor() = default;
   int operator()(const ROMol &m) {
     return python::extract<int>(dp_obj(boost::ref(m)));
   }

Code/GraphMol/Resonance.cpp

@@ -182,7 +182,7 @@ class AtomElectrons {
   typedef enum { NEED_CHARGE_BIT = 1 } AllowedBondFlag;
   AtomElectrons(ConjElectrons *parent, const Atom *a);
   AtomElectrons(ConjElectrons *parent, const AtomElectrons &ae);
-  ~AtomElectrons(){};
+  ~AtomElectrons() = default;
   std::uint8_t findAllowedBonds(unsigned int bi);
   bool hasOctet() const { return ((d_nb + d_tv * 2) == 8); };
   bool isLastBond() const { return (d_flags & LAST_BOND); };
@@ -230,7 +230,7 @@ class BondElectrons {
   typedef enum { DEFINITIVE = (1 << 0) } BondElectronsFlags;
   BondElectrons(ConjElectrons *parent, const Bond *b);
   BondElectrons(ConjElectrons *parent, const BondElectrons &be);
-  ~BondElectrons(){};
+  ~BondElectrons() = default;
   bool isDefinitive() const { return (d_flags & DEFINITIVE); };
   void setDefinitive() { d_flags |= DEFINITIVE; };
   int conjGrpIdx() const {

Code/GraphMol/SLNParse/SLNParse.h

@@ -60,7 +60,7 @@ class RDKIT_SLNPARSE_EXPORT SLNParseException : public std::exception {
   SLNParseException(const char *msg) : _msg(msg) {}
   SLNParseException(std::string msg) : _msg(std::move(msg)) {}
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~SLNParseException() noexcept override {}
+  ~SLNParseException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/SmilesParse/SmilesParse.h

@@ -105,7 +105,7 @@ class RDKIT_SMILESPARSE_EXPORT SmilesParseException : public std::exception {
   SmilesParseException(const char *msg) : _msg(msg) {}
   SmilesParseException(const std::string msg) : _msg(msg) {}
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~SmilesParseException() noexcept override {}
+  ~SmilesParseException() noexcept override = default;
 
  private:
   std::string _msg;

Code/GraphMol/SubstanceGroup.h

@@ -101,7 +101,7 @@ class RDKIT_GRAPHMOL_EXPORT SubstanceGroup : public RDProps {
   SubstanceGroup &operator=(SubstanceGroup &&other) = default;
 
   //! Destructor
-  ~SubstanceGroup() {}
+  ~SubstanceGroup() = default;
 
   //! returns whether or not this belongs to a molecule
   bool hasOwningMol() const { return dp_mol != nullptr; }

Code/GraphMol/Wrap/Mol.cpp

@@ -171,7 +171,7 @@ namespace {
 class pyobjFunctor {
  public:
   pyobjFunctor(python::object obj) : dp_obj(std::move(obj)) {}
-  ~pyobjFunctor() {}
+  ~pyobjFunctor() = default;
   bool operator()(const ROMol &m, const std::vector<unsigned int> &match) {
     return python::extract<bool>(dp_obj(boost::ref(m), boost::ref(match)));
   }

Code/GraphMol/Wrap/seqs.hpp

@@ -51,7 +51,7 @@ class ReadOnlySeq {
   const ROMOL_SPTR _mol;
 
  public:
-  ~ReadOnlySeq() {}
+  ~ReadOnlySeq() = default;
   ReadOnlySeq(ROMOL_SPTR mol, T1 start, T1 end, T3 lenFunc)
       : _start(start),
         _end(end),

Code/GraphMol/atomic_data.h

@@ -31,7 +31,7 @@ RDKIT_GRAPHMOL_EXPORT extern const double electronMass;
 class RDKIT_GRAPHMOL_EXPORT atomicData {
  public:
   atomicData(const std::string &dataLine);
-  ~atomicData() {}
+  ~atomicData() = default;
 
   int AtomicNum() const { return anum; }
 

Code/JavaWrappers/GenericRDKitException.h

@@ -30,7 +30,7 @@ class RDKIT_JAVAWRAPPERS_EXPORT GenericRDKitException : public std::exception {
   GenericRDKitException(const std::string &i) : _value(i) {}
   GenericRDKitException(const char *msg) : _value(msg) {}
   const char *what() const noexcept override { return _value.c_str(); }
-  ~GenericRDKitException() noexcept {}
+  ~GenericRDKitException() noexcept = default;
 
  private:
   std::string _value;

Code/Numerics/SymmMatrix.h

@@ -62,7 +62,7 @@ class SymmMatrix {
     d_data.reset(data);
   }
 
-  ~SymmMatrix() {}
+  ~SymmMatrix() = default;
 
   //! returns the number of rows
   inline unsigned int numRows() const { return d_size; }

Code/Numerics/Vector.h

@@ -72,7 +72,7 @@ class Vector {
     d_data.reset(data);
   }
 
-  ~Vector() {}
+  ~Vector() = default;
 
   //! return the size (dimension) of the vector
   unsigned int size() const { return d_size; }

Code/RDGeneral/BadFileException.h

@@ -29,7 +29,7 @@ class RDKIT_RDGENERAL_EXPORT BadFileException : public std::runtime_error {
       : std::runtime_error("BadFileException"), _msg(std::move(msg)) {}
   //! get the error message
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~BadFileException() noexcept override {}
+  ~BadFileException() noexcept override = default;
 
  private:
   std::string _msg;

Code/RDGeneral/Exceptions.h

@@ -27,7 +27,7 @@ class RDKIT_RDGENERAL_EXPORT IndexErrorException : public std::runtime_error {
 
   const char* what() const noexcept override { return _msg.c_str(); }
 
-  ~IndexErrorException() noexcept override {}
+  ~IndexErrorException() noexcept override = default;
 
  private:
   int _idx;
@@ -44,7 +44,7 @@ class RDKIT_RDGENERAL_EXPORT ValueErrorException : public std::runtime_error {
   ValueErrorException(const char* msg)
       : std::runtime_error("ValueErrorException"), _value(msg) {}
   const char* what() const noexcept override { return _value.c_str(); }
-  ~ValueErrorException() noexcept override {}
+  ~ValueErrorException() noexcept override = default;
 
  private:
   std::string _value;
@@ -63,7 +63,7 @@ class RDKIT_RDGENERAL_EXPORT KeyErrorException : public std::runtime_error {
 
   const char* what() const noexcept override { return _msg.c_str(); }
 
-  ~KeyErrorException() noexcept override {}
+  ~KeyErrorException() noexcept override = default;
 
  private:
   std::string _key;

Code/RDGeneral/FileParseException.h

@@ -26,7 +26,7 @@ class RDKIT_RDGENERAL_EXPORT FileParseException : public std::runtime_error {
       : std::runtime_error("FileParseException"), _msg(msg) {}
   //! get the error message
   const char *what() const noexcept override { return _msg.c_str(); }
-  ~FileParseException() noexcept override {}
+  ~FileParseException() noexcept override = default;
 
  private:
   std::string _msg;

Code/RDGeneral/Invariant.h

@@ -66,7 +66,7 @@ class RDKIT_RDGENERAL_EXPORT Invariant : public std::runtime_error {
         prefix_d(prefix),
         file_dp(file),
         line_d(line) {}
-  ~Invariant() noexcept override {}
+  ~Invariant() noexcept override = default;
 
   const char* what() const noexcept override { return mess_d.c_str(); }
 

Code/SimDivPickers/Wrap/PickerHelpers.h

@@ -23,7 +23,7 @@ class pyBVFunctor {
  public:
   pyBVFunctor(const std::vector<const BV *> &obj, DistanceMethod method)
       : d_obj(obj), d_method(method) {}
-  ~pyBVFunctor() {}
+  ~pyBVFunctor() = default;
   double operator()(unsigned int i, unsigned int j) {
     double res = 0.0;
     switch (d_method) {
@@ -47,7 +47,7 @@ class pyBVFunctor {
 class pyobjFunctor {
  public:
   pyobjFunctor(python::object obj) : dp_obj(std::move(obj)) {}
-  ~pyobjFunctor() {}
+  ~pyobjFunctor() = default;
   double operator()(unsigned int i, unsigned int j) {
     return python::extract<double>(dp_obj(i, j));
   }

Code/SimDivPickers/catch_tests.cpp

@@ -24,7 +24,7 @@ template <typename T>
 class BVFunctor {
  public:
   BVFunctor(const T &obj) : d_obj(obj) {}
-  ~BVFunctor() {}
+  ~BVFunctor() = default;
   double operator()(unsigned int i, unsigned int j) {
     double res = 1. - TanimotoSimilarity(*d_obj[i], *d_obj[j]);
     return res;

Web/RDExtras/.htaccess

@@ -1,9 +0,0 @@
-# Note: setting environment variables here does no good at all
-SetEnv RDBASE /home2/glandrum/RD/trunk
-SetEnv BOOSTBASE boost_1_31
-SetEnv LD_LIBRARY_PATH "/home2/glandrum/RD/trunk/bin:/usr/local/lib"
-SetEnv GDFONTPATH "/usr/local/share/fonts/truetype"
-PythonPath "sys.path+['/home2/glandrum/RD/trunk/Python']"
-AddHandler mod_python .py
-PythonHandler mod_python.publisher
-PythonDebug On