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// Copyright 2008 Nanorex, Inc. See LICENSE file for details.
#ifndef NX_MOLECULE_H
#define NX_MOLECULE_H
#include <openbabel/generic.h>
#define NXMoleculeDataType OBGenericDataType::CustomData0
using namespace OpenBabel;
namespace Nanorex {
/* CLASS: NXMoleculeData */
/**
* A set of Nanorex-specific data stored in OBMol objects.
*
* @ingroup ChemistryDataModel, NanorexInterface
*/
class NXMoleculeData : public OBGenericData {
public:
NXMoleculeData() { _type = NXMoleculeDataType; }
void SetIdx(int idx) { _idx = idx; }
unsigned int GetIdx() { return _idx; }
private:
unsigned int _idx;
};
} // Nanorex::
#endif
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