PcsDataCenterManagerSingleton.cc

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

 //////////////////////////////////////////////
 /// @begin
 ///
 /// @file protocols/scoring/methods/pcs2/PcsDataCenterManagerSingleton.cc
 ///
 /// @brief
 ///
 /// @detailed
 ///
 /// @param
 ///
 /// @return
 ///
 /// @remarks
 ///
 /// @references
 ///
 /// @authorsv Christophe Schmitz
 ///
 /// @last_modified February 2010
 ////////////////////////////////////////////////



// Unit headers
#include <protocols/scoring/methods/pcs2/PcsDataCenterManagerSingleton.hh>

// Package headers
#include <protocols/scoring/methods/pcs2/PcsEnergyParameterManager.hh>
#include <protocols/scoring/methods/pcs2/PcsInputCenterManager.hh>
#include <protocols/scoring/methods/pcs2/PcsDataCenter.hh>
#include <protocols/scoring/methods/pcs2/PcsDataCenter.fwd.hh>
// Project headers
#include <basic/Tracer.hh>

// Utility headers
#include <utility/exit.hh>

#include <utility/vector1.hh>


// Numeric headers

// Objexx headers

// C++ headers

namespace protocols{
namespace scoring{
namespace methods{
namespace pcs2{

basic::Tracer TR_PcsDataCenterManagerSingleton("protocols.scoring.methods.pcs.PcsDataCenterManagerSingleton");

PcsDataCenterManagerSingleton::PcsDataCenterManagerSingleton(PcsEnergyParameterManager & pcs_e_p_m){

  core::Size i_multi_data;
  core::Size n_multi_data;

  n_multi_data = pcs_e_p_m.get_n_multi_data();

  //  using namespace basic::options;
  //  using namespace basic::options::OptionKeys;

  for(i_multi_data = 1; i_multi_data <= n_multi_data; ++i_multi_data ){

    utility::vector1<std::string> vec_filename;
    utility::vector1<core::Real> vec_weight;
    vec_filename = pcs_e_p_m.get_PcsEnergyParameter_for(i_multi_data).get_vector_filename();
    vec_weight = pcs_e_p_m.get_PcsEnergyParameter_for(i_multi_data).get_vector_weight();

    core::Size start(pcs_e_p_m.get_PcsEnergyParameter_for(i_multi_data).get_include_only_start());
    core::Size end(pcs_e_p_m.get_PcsEnergyParameter_for(i_multi_data).get_include_only_end());
    core::Real individual_scale(pcs_e_p_m.get_PcsEnergyParameter_for(i_multi_data).get_individual_scale());

    if(vec_filename.size() == 0){
      utility_exit_with_message("Missing input file for PCS. Review your setup file");
    }
    PcsInputCenter pcs_i_c = PcsInputCenterManager::get_instance()->get_PcsInputCenter_for(vec_filename, vec_weight);
    PcsDataCenterOP pcs_d_c_OP;
    pcs_d_c_OP = new PcsDataCenter(pcs_i_c, start, end, individual_scale);
    (*this).get_PCS_data_all().push_back(*pcs_d_c_OP);
  }
}

PcsDataCenterManagerSingleton *
PcsDataCenterManagerSingleton::get_instance(PcsEnergyParameterManager & pcs_e_p_m){
  if ( instance_ == 0 ){
     instance_ = new PcsDataCenterManagerSingleton(pcs_e_p_m);
  }
  return instance_;
}


utility::vector1<PcsDataCenter> &
PcsDataCenterManagerSingleton::get_PCS_data_all() {
  return (PCS_data_all_);
}

std::ostream &
operator<<(std::ostream& out, const PcsDataCenterManagerSingleton & m){
  core::Size i;

  out << "n paramagnetic center: " << m.get_n_multi_data() << std::endl;
  for (i = 1 ; i <= m.get_n_multi_data(); ++i){
    out << m.PCS_data_all_[i] << std::endl;
  }
  return out;
}

core::Size
PcsDataCenterManagerSingleton::get_n_multi_data() const{
  return (PCS_data_all_.size());
}


PcsDataCenterManagerSingleton * PcsDataCenterManagerSingleton::instance_( 0 );

}//namespcacs PCS
}//namespace methods
}//namespace scoring
}//namespace protocols