SaveOptimizerState.h

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/**
 *  \file IMP/rmf/SaveOptimizerState.h
 *  \brief Dump the state of all associated objects into the RMF file.
 *
 *  Copyright 2007-2022 IMP Inventors. All rights reserved.
 *
 */

#ifndef IMPRMF_SAVE_OPTIMIZER_STATE_H
#define IMPRMF_SAVE_OPTIMIZER_STATE_H

#include <IMP/rmf/rmf_config.h>
#include "atom_io.h"
#include "restraint_io.h"
#include "particle_io.h"
#include "geometry_io.h"
#include <IMP/OptimizerState.h>
#include <IMP/atom/Simulator.h>

IMPRMF_BEGIN_NAMESPACE

//! Periodically dump the state of all associated objects into the RMF file.
/** This is done by calling the save_frame() function. Convenience methods
    are provided to add hierarchies, restraints, particles, and geometries.
*/
class IMPRMFEXPORT SaveOptimizerState : public OptimizerState {
  RMF::FileHandle fh_;
  WeakPointer<atom::Simulator> sim_;

 public:
  SaveOptimizerState(Model *m, RMF::FileHandle fh);
#ifndef IMP_DOXYGEN
  IMP_LIST_ACTION(public, Hierarchy, Hierarchies, hierarchy, hierarchies,
                  Particle *, Particles,
  { rmf::add_hierarchy(fh_, atom::Hierarchy(obj)); }, {}, {});
  IMP_LIST_ACTION(public, Restraint, estraints, restraint, restraints,
                  Restraint *, Restraints,
  { rmf::add_restraints(fh_, RestraintsTemp(1, obj)); }, {}, {});
  IMP_LIST_ACTION(public, Particle, Particles, particle, particles,
                  Particle *, Particles,
  { rmf::add_particles(fh_, ParticlesTemp(1, obj)); }, {}, {});
  IMP_LIST_ACTION(public, Geometry, Geometries, geometry, geometries,
                  display::Geometry *, display::Geometries,
  { rmf::add_geometries(fh_, display::GeometriesTemp(1, obj)); }, {}, {});
#endif
  //! Use the simulator to tag frames with current time
  /** \note This may change to a more general mechanism at some point
      in the future.
   */
  void set_simulator(atom::Simulator *sim);
  //! Write a frame with a given name
  void update_always(std::string name);
  // to prevent it from being hidden
  void update_always() { OptimizerState::update_always(); }
  virtual void do_update(unsigned int call_num) override;
  IMP_OBJECT_METHODS(SaveOptimizerState);
};

IMPRMF_END_NAMESPACE

#endif /* IMPRMF_SAVE_OPTIMIZER_STATE_H */