/* * 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 getAllEndAtoms(); std::vector getAllStartAtoms(); /* get all the atoms involved at the start side of the interaction */ std::vector m_otherEndAtoms; std::vector m_otherStartAtoms; }; #endif // sketcherMINIMIZERRESIDUEINTERACTION_H