ConfigIONovelty.hh

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#ifndef CONFIGIONOVELTY_HH
#define CONFIGIONOVELTY_HH

#include "casm/casm_io/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 -----------

      void 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;

    };
  }
}
#endif