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sketcherMinimizerResidueInteraction.h
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sketcherMinimizerResidueInteraction.h
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/*
* sketcherMinimizerResidueInteraction.h
*
* Created by Nicola Zonta on 13/05/2011.
* Copyright Schrodinger, LLC. All rights reserved.
*
*/
#ifndef sketcherMINIMIZERRESIDUEINTERACTION_H
#define sketcherMINIMIZERRESIDUEINTERACTION_H
#include "sketcherMinimizerBond.h"
/* class to represent an interaction with protein residues (e.g. h-bond or
pi-pi stacking */
class EXPORT_COORDGEN sketcherMinimizerResidueInteraction
: public sketcherMinimizerBond
{
public:
sketcherMinimizerResidueInteraction();
~sketcherMinimizerResidueInteraction() override;
bool isResidueInteraction() override;
/* get all the atoms involved at the end side of the interaction */
std::vector<sketcherMinimizerAtom*> getAllEndAtoms();
std::vector<sketcherMinimizerAtom*> getAllStartAtoms();
/* get all the atoms involved at the start side of the interaction */
std::vector<sketcherMinimizerAtom*> m_otherEndAtoms;
std::vector<sketcherMinimizerAtom*> m_otherStartAtoms;
};
#endif // sketcherMINIMIZERRESIDUEINTERACTION_H