GETAWAY.h

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//
//  Copyright (c) 2016, Guillaume GODIN
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// https://en.wikipedia.org/wiki/Molecular_descriptor
//
// Created by Guillaume Godin 2016
 
#include <RDGeneral/export.h>
#ifndef GETAWAYRDKIT_H_SEPT2016
#define GETAWAYRDKIT_H_SEPT2016
 
#ifdef RDK_BUILD_DESCRIPTORS3D
namespace RDKit {
class ROMol;
namespace Descriptors {
const std::string GETAWAYVersion = "1.0.0";
RDKIT_DESCRIPTORS_EXPORT void GETAWAY(
    const ROMol &, std::vector<double> &res, int confId = -1,
    unsigned int precision = 2, const std::string &customAtomPropName = "");
}  // namespace Descriptors
}  // namespace RDKit
#endif
#endif