ECIContainer.cc

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#include "casm/clex/ECIContainer.hh"

namespace CASM {

  double operator*(const ECIContainer &_eci, const Correlation &_corr) {
    double result(0);
    auto ind_it(_eci.index().cbegin()), ind_end(_eci.index().cend());
    auto eci_it(_eci.value().cbegin());
    for(; ind_it != ind_end; ++ind_it, ++eci_it)
      result += (*eci_it) * _corr[*ind_it];
    return result;
  }

  double operator*(const ECIContainer &_eci, double const *_corr_begin) {
    double result(0);
    auto ind_it(_eci.index().cbegin()), ind_end(_eci.index().cend());
    auto eci_it(_eci.value().cbegin());
    while(ind_it != ind_end) {
      result += (*eci_it) * (*(_corr_begin + *ind_it));
      ++ind_it;
      ++eci_it;
    }
    return result;
  }

  ECIContainer read_eci_out(const fs::path &filepath) {

    std::vector<double> value;
    std::vector<ECIContainer::size_type> index;

    //read in from eci,out file
    std::ifstream ecistream(filepath.string().c_str());

    //This is where we dump each line of the file as we read
    std::string stringdump;

    //skip all the lines until the actual eci values
    for(int i = 0; i < 7; i++) {
      std::getline(ecistream, stringdump);
    }

    //read the three columns of eci, eci/mult and index line by line
    while(std::getline(ecistream, stringdump)) {
      //make a stringstream to split the three values of the line we just read
      std::istringstream eciline_stream(stringdump);
      double eci_value, eci_over_mult;
      Index eci_index;

      eciline_stream >> eci_value;
      eciline_stream >> eci_over_mult;
      eciline_stream >> eci_index;

      //store the values we just read
      value.push_back(eci_value);
      index.push_back(eci_index);
    }
    return ECIContainer(value.begin(), value.end(), index.begin());
  }


  ECIContainer read_eci(const fs::path &filepath) {

    std::vector<double> value;
    std::vector<ECIContainer::size_type> index;

    jsonParser json(filepath);
    for(auto it = json["cluster_functions"].begin(); it != json["cluster_functions"].end(); ++it) {
      auto eci = it->find("eci");
      if(eci != it->end()) {
        value.push_back(eci->get<double>());
        index.push_back(it->find("linear_function_index")->get<ECIContainer::size_type>());
      }
    }
    return ECIContainer(value.begin(), value.end(), index.begin());
  }

}