LigandDockingLoaders.cc

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// vi: set ts=2 noet:
//
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/// @file   protocols/ligand_docking/LigandDockingLoaders.cc
/// @brief  Implementation of the InterfaceBuilderLoader and MoveMapBuilderLoader classes
/// @author Gordon Lemmon
/// @author Andrew Leaver-Fay (aleaverfay@gmail.com) -- moved here from DockDesignParser.cc

// Unit Headers
#include <protocols/ligand_docking/LigandDockingLoaders.hh>
#include <protocols/ligand_docking/LigandDockingLoaderCreators.hh>

// Project Headers
#include <protocols/ligand_docking/InterfaceBuilder.hh>
#include <protocols/ligand_docking/MoveMapBuilder.hh>
#include <protocols/ligand_docking/LigandArea.hh>


#include <basic/Tracer.hh>

// Utility headers
#include <utility/tag/Tag.hh>

// Boost Headers
#include <boost/foreach.hpp>

#include <utility/vector0.hh>
#include <utility/vector1.hh>

#define foreach BOOST_FOREACH

namespace protocols {
namespace ligand_docking {

static basic::Tracer TR( "protocols.ligand_docking.LigandDockingLoaders" );

InterfaceBuilderLoader::InterfaceBuilderLoader() {}
InterfaceBuilderLoader::~InterfaceBuilderLoader() {}

void InterfaceBuilderLoader::load_data(
  core::pose::Pose const &,
  utility::tag::TagPtr const tag,
  moves::DataMap & data
) const
{
  using namespace utility::tag;
  typedef utility::vector0< TagPtr > TagPtrs;

  foreach(TagPtr interface_builder_tag, tag->getTags()){
    std::string const name( interface_builder_tag->getName() );

    if ( data.has("interface_builders", name)) {
      TR << "WARNING WARNING movemap_builder of name \"" << name
        << ") already exists. Skipping\n" << interface_builder_tag << std::endl;
      continue;
    }
    ///// Add this movemap to the data map
    protocols::ligand_docking::InterfaceBuilderOP interface_builder= new protocols::ligand_docking::InterfaceBuilder();
    interface_builder->parse_my_tag( interface_builder_tag, data );
    data.add( "interface_builders" , name, interface_builder);
  }
  TR.flush();
}

jd2::parser::DataLoaderOP
InterfaceBuilderLoaderCreator::create_loader() const { return new InterfaceBuilderLoader; }

std::string
InterfaceBuilderLoaderCreator::keyname() const { return "INTERFACE_BUILDERS"; }

MoveMapBuilderLoader::MoveMapBuilderLoader() {}
MoveMapBuilderLoader::~MoveMapBuilderLoader() {}

void MoveMapBuilderLoader::load_data(
  core::pose::Pose const &,
  utility::tag::TagPtr const tag,
  moves::DataMap & data
) const
{
  using namespace utility::tag;
  typedef utility::vector0< TagPtr > TagPtrs;

  foreach(TagPtr movemap_builder_tag, tag->getTags()){
    std::string const name( movemap_builder_tag->getName() );

    if ( data.has("movemap_builders", name)) {
      TR << "WARNING WARNING movemap_builder of name \"" << name
        << ") already exists. Skipping\n" << movemap_builder_tag << std::endl;
      continue;
    }
    ///// Add this movemap to the data map
    protocols::ligand_docking::MoveMapBuilderOP movemap_builder= new protocols::ligand_docking::MoveMapBuilder();
    movemap_builder->parse_my_tag( movemap_builder_tag, data );
    data.add( "movemap_builders" , name, movemap_builder);
  }
  TR.flush();
}

jd2::parser::DataLoaderOP
MoveMapBuilderLoaderCreator::create_loader() const { return new MoveMapBuilderLoader; }

std::string
MoveMapBuilderLoaderCreator::keyname() const { return "MOVEMAP_BUILDERS"; }

LigandAreaLoader::LigandAreaLoader() {}
LigandAreaLoader::~LigandAreaLoader() {}

void LigandAreaLoader::load_data(
  core::pose::Pose const &,
  utility::tag::TagPtr const tag,
  moves::DataMap & data
) const
{
  using namespace utility::tag;
  typedef utility::vector0< TagPtr > TagPtrs;

  foreach(TagPtr ligand_area_tag, tag->getTags()){
    std::string const name( ligand_area_tag->getName() );

    if ( data.has("ligand_areas", name)) {
      TR << "WARNING WARNING ligand_area of name \"" << name
        << ") already exists. Skipping\n" << ligand_area_tag << std::endl;
      continue;
    }
    ///// Add this movemap to the data map
    protocols::ligand_docking::LigandAreaOP ligand_area= new protocols::ligand_docking::LigandArea();
    ligand_area->parse_my_tag( ligand_area_tag );
    data.add( "ligand_areas" , name, ligand_area);
  }
  TR.flush();
}

jd2::parser::DataLoaderOP
LigandAreaLoaderCreator::create_loader() const { return new LigandAreaLoader; }

std::string
LigandAreaLoaderCreator::keyname() const { return "LIGAND_AREAS"; }



} //namespace jd2
} //namespace protocols