CutoffGroupStamp.hpp

/*
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 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * work.  Good starting points are:
 *
 * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
 * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
 * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
 * [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 * [5] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
 * [6] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
 * [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
 */
 
#ifndef TYPES_CUTOFFGROUPSTAMP_HPP
#define TYPES_CUTOFFGROUPSTAMP_HPP
 
#include "types/DataHolder.hpp"
 
namespace OpenMD {
  class CutoffGroupStamp : public DataHolder {
  public:
    CutoffGroupStamp();
    int getMemberAt(int index) { return members_[index]; }
    size_t getNMembers() { return members_.size(); }
    std::vector<int> getMembers() { return members_; }
    bool setMembers(const std::vector<int>& members) {
      members_ = members;
      return true;
    }
    virtual void validate();
 
  private:
    std::vector<int> members_;
  };
}  // namespace OpenMD
 
#endif