WHIM.h

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//
//  Copyright (c) 2016, Guillaume GODIN
//  All rights reserved.
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// Created by Guillaume GODIN
 
#include <RDGeneral/export.h>
#ifndef WHIMRDKIT_H_SEPT2016
#define WHIMRDKIT_H_SEPT2016
#include <vector>
#include <string>
 
#ifdef RDK_BUILD_DESCRIPTORS3D
namespace RDKit {
class ROMol;
namespace Descriptors {
const std::string WHIMVersion = "1.0.0";
RDKIT_DESCRIPTORS_EXPORT void WHIM(const ROMol &, std::vector<double> &res,
                                   int confId = -1, double th = 0.001,
                                   const std::string &customAtomPropName = "");
}  // namespace Descriptors
}  // namespace RDKit
#endif
#endif