EnzdesJobInputter.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.
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// (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.

/// @file   protocols/enzdes/EnzdesJobInputter.cc
/// @brief  job inputter that adds some stuff for enzdes to the pose
/// @author Florian Richter ( floric@u.washington.edu), Sagar Khare (khares@u.washington.edu)

///Unit headers
#include <protocols/enzdes/EnzdesJobInputter.hh>
#include <protocols/enzdes/EnzdesJobInputterCreator.hh>

//package headers
#include <protocols/jd2/Job.hh>
#include <protocols/enzdes/enzdes_util.hh>
#include <protocols/toolbox/match_enzdes_util/EnzdesCacheableObserver.hh>
#include <protocols/toolbox/match_enzdes_util/EnzdesLoopsFile.hh>

///Project headers
#include <basic/options/option.hh>
#include <core/pose/Pose.hh>
#include <core/pose/datacache/CacheableObserverType.hh>
#include <core/pose/datacache/ObserverCache.hh>
#include <core/pose/datacache/cacheable_observers.hh>

#ifdef WIN32
// required for VS2005 build
#include <core/conformation/Residue.hh>
#endif

///Utility headers
#include <basic/Tracer.hh>

///C++ headers
#include <string>

// option key includes
#include <basic/options/keys/enzdes.OptionKeys.gen.hh>

#include <utility/vector1.hh>


static basic::Tracer TR("protocols.enzdes.EnzdesJobInputter");

namespace protocols {
namespace enzdes {

EnzdesJobInputter::EnzdesJobInputter()
  : enz_loops_file_(NULL)
{
  TR << "Instantiate EnzdesJobInputter" << std::endl;
  if( basic::options::option[ basic::options::OptionKeys::enzdes::enz_loops_file ].user() ){

    enz_loops_file_ = new protocols::toolbox::match_enzdes_util::EnzdesLoopsFile();
    if( !enz_loops_file_->read_loops_file( basic::options::option[ basic::options::OptionKeys::enzdes::enz_loops_file ] ) ){
      utility_exit_with_message("Reading enzdes loops file failed");
    }
  }
}

EnzdesJobInputter::~EnzdesJobInputter(){
}

void
EnzdesJobInputter::pose_from_job( core::pose::Pose & pose, protocols::jd2::JobOP job){
  TR << "EnzdesJobInputter::pose_from_job" << std::endl;

  std::string input_tag( job->input_tag() );
  protocols::enzdes::enzutil::read_pose_from_pdb( pose, input_tag );
  if( enz_loops_file_){
    protocols::toolbox::match_enzdes_util::get_enzdes_observer( pose )->set_enzdes_loops_file( enz_loops_file_ );
    core::pose::datacache::SpecialSegmentsObserverOP segob = new core::pose::datacache::SpecialSegmentsObserver();
    segob->clear();
    for( core::Size i =1; i <= enz_loops_file_->num_loops(); ++i){
      segob->add_segment(enz_loops_file_->loop_info( i )->start(), enz_loops_file_->loop_info( i )->stop() + 1 /*segment convention*/ );
    }
    pose.observer_cache().set(  core::pose::datacache::CacheableObserverType::SPECIAL_SEGMENTS_OBSERVER, segob, true );
  }

  load_pose_into_job(pose, job);
}

//CREATOR SECTION
std::string
EnzdesJobInputterCreator::keyname() const
{
        return "EnzdesJobInputter";
}

protocols::jd2::JobInputterOP
EnzdesJobInputterCreator::create_JobInputter() const {
        return new EnzdesJobInputter;
}

}//enzdes
}//protocols