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//
// Copyright (c) 2016, Novartis Institutes for BioMedical Research Inc.
// All rights reserved.
//
// Redistribution and use in source and binary forms, with or without
// modification, are permitted provided that the following conditions are
// met:
//
// * Redistributions of source code must retain the above copyright
// notice, this list of conditions and the following disclaimer.
// * Redistributions in binary form must reproduce the above
// copyright notice, this list of conditions and the following
// disclaimer in the documentation and/or other materials provided
// with the distribution.
// * Neither the name of Novartis Institutes for BioMedical Research Inc.
// nor the names of its contributors may be used to endorse or promote
// products derived from this software without specific prior written
// permission.
//
// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
// "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
// LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
// A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
// OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
// SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
// LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
// DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
// THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
// (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 <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__;
}
}
#endif
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