ConfigIONovelty.hh

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#ifndef CONFIGIONOVELTY_HH
#define CONFIGIONOVELTY_HH
 
#include "casm/casm_io/dataformatter/DataFormatterTools.hh"
 
namespace CASM {
 
class Configuration;
 
namespace ConfigIO {
 
 
class Novelty : public ScalarAttribute<Configuration> {
 public:
  Novelty()
      : ScalarAttribute<Configuration>(
            "novelty",
            "Novelty of a configuration with respect to a population of "
            "configurations, measured using the Mahalanobis distance of its "
            "correlations. Accepts one argument, a configuration selection "
            "specifying the population against which novelty is measured "
            "(default MASTER). Ex: novelty(path/to/selection)") {}
 
  // --- Required implementations -----------
 
  std::unique_ptr<Novelty> clone() const {
    return std::unique_ptr<Novelty>(this->_clone());
  }
 
  double evaluate(const Configuration &_config) const override;
 
  // --- Specialized implementation -----------
 
  bool init(const Configuration &_tmplt) const override;
 
  std::string short_header(const Configuration &_config) const override;
  /*
        void inject(const Configuration &_config, DataStream &_stream, Index)
     const override;
 
        void print(const Configuration &_config, std::ostream &_stream, Index)
     const override;
 
        jsonParser &to_json(const Configuration &_config, jsonParser &json)const
     override;
  */
  bool parse_args(const std::string &args) override;
 
 private:
  Novelty *_clone() const override { return new Novelty(*this); }
 
  mutable std::string m_selection;
 
  mutable Eigen::MatrixXd m_gram_mat;
 
  mutable Eigen::VectorXd m_avg_corr;
 
  mutable DataFormatter<Configuration> m_format;
};
}  // namespace ConfigIO
}  // namespace CASM
#endif