RegisterDescriptor.h

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//
//  Copyright (c) 2016, Novartis Institutes for BioMedical Research Inc.
//  All rights reserved.
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#include <RDGeneral/export.h>
#ifndef RDKIT_REGISTER_DESCRIPTOR_H
#define RDKIT_REGISTER_DESCRIPTOR_H
 
#include <RDGeneral/BoostStartInclude.h>
#include <boost/shared_ptr.hpp>
#include <RDGeneral/BoostEndInclude.h>
#include "Property.h"
 
namespace RDKit {
class ROMol;
namespace Descriptors {
 
// these macros create a static class that can call the specified function.
//    using double class::operator(const ROMol&)
//  this class also contains a function pointer with the signature
//      double(*)(const ROMol&)
// these classes are automatically registered with the property registry
/*
#define REGISTER_FULL_DESCRIPTOR( NAME, VERSION, FUNC )         \
double NAME##PropertyFunction(const ROMol&m){return
static_cast<double>(FUNC(mol));}\
struct NAME##PropertyFunctor : public PropertyFunctor{          \
  NAME##PropertyFunctor(bool registerProp=true) : PropertyFunctor(#NAME,
VERSION) { \
    if (registerProp) Properties::registerProperty(new
NAME##PropertyFunctor(false)); \
    d_dataFunc = &NAME##PropertyFunction;  \
  } \
  double operator()(const RDKit::ROMol &mol) const { \
     return NAME##PropertyFunction(mol); } \
}; \
static NAME##PropertyFunctor NAME##PropertyFunctor__;
*/
 
#define REGISTER_DESCRIPTOR(NAME, FUNC)                                     \
  struct NAME##PropertyFunctor : public PropertyFunctor {                   \
    static double _func(const ROMol &m) {                                   \
      return static_cast<double>(FUNC(m));                                  \
    }                                                                       \
    NAME##PropertyFunctor(bool registerProp = true)                         \
        : PropertyFunctor(#NAME, NAME##Version, _func) {                    \
      if (registerProp)                                                     \
        Properties::registerProperty(new NAME##PropertyFunctor(false));     \
    }                                                                       \
    double operator()(const RDKit::ROMol &mol) const { return _func(mol); } \
  };                                                                        \
  static NAME##PropertyFunctor NAME##PropertyFunctor__;
}  // namespace Descriptors
}  // namespace RDKit
 
#endif