model_statistics.h

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/**
 *  \file IMP/core/model_statistics.h
 *  \brief Write the scores of the passed restraints to a file.
 *
 *  Copyright 2007-2022 IMP Inventors. All rights reserved.
 */

#ifndef IMPCORE_MODEL_STATISTICS_H
#define IMPCORE_MODEL_STATISTICS_H

#include <IMP/core/core_config.h>
#include <IMP/Model.h>
#include <IMP/OptimizerState.h>
#include <IMP/io.h>

IMPCORE_BEGIN_NAMESPACE

//! Write the scores of the passed restraints to a file during optimization.
/** The file starts with a line whose first character
    is a # with the names of the restraints separated by commas
    and then has one line per periodic update with comma
    separated scores for each restraint.
*/
class IMPCOREEXPORT WriteRestraintScoresOptimizerState
    : public OptimizerState {
  Restraints rs_;
  TextOutput out_;

 public:
  WriteRestraintScoresOptimizerState(const Restraints &rs,
                                     TextOutput out);

 protected:
  virtual void do_update(unsigned int call_num) override;
  IMP_OBJECT_METHODS(WriteRestraintScoresOptimizerState);
};

IMPCORE_END_NAMESPACE

#endif /* IMPCORE_MODEL_STATISTICS_H */