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
BoostEndInclude.h
BoostStartInclude.h
Property.h
export.h
RDKit
Std stuff.
Definition: Abbreviations.h:18