MatchResiduesMover.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 protocolsoped 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/fldsgn/MatchResiduesMover.cc
/// @brief  
/// @author Javier Castellanos ( javiercv@uw.edu )

// Unit Headers
#include <protocols/fldsgn/MatchResiduesMover.hh>
#include <protocols/fldsgn/MatchResiduesMoverCreator.hh>

// Project Headers
#include <core/types.hh>
#include <core/pose/Pose.hh>
#include <core/import_pose/import_pose.hh>
#include <core/chemical/ResidueType.hh>
#include <core/scoring/rms_util.hh>

// Utility headers
#include <utility/vector1.hh>
#include <basic/Tracer.hh>
#include <ObjexxFCL/format.hh>
#include <protocols/moves/DataMap.hh>
#include <protocols/moves/Mover.hh>
#include <protocols/rigid/RigidBodyMover.hh>
#include <utility/exit.hh>

// Parser headers
#include <protocols/jd2/parser/BluePrint.hh>
#include <protocols/moves/Mover.hh>
#include <utility/tag/Tag.hh>
#include <utility/string_util.hh>


// Boost Headers
#include <boost/tuple/tuple.hpp>
#include <boost/tuple/tuple_comparison.hpp>
#include <boost/lexical_cast.hpp>
#define foreach BOOST_FOREACH

static basic::Tracer TR("protocols.fldsgn.MatchResiduesMover");

namespace protocols {
namespace fldsgn {

// -------------  Mover Creator -------------

protocols::moves::MoverOP
MatchResiduesMoverCreator::create_mover() const { return new MatchResiduesMover; }

std::string
MatchResiduesMoverCreator::keyname() const { return "MatchResiduesMover"; }

// -------------  Mover Creator -------------

// @brief default constructor
MatchResiduesMover::MatchResiduesMover()
{}



// @brief destructor
MatchResiduesMover::~MatchResiduesMover() {}

protocols::moves::MoverOP
MatchResiduesMover::fresh_instance() const{
  return new MatchResiduesMover();
}

protocols::moves::MoverOP
MatchResiduesMover::clone() const{
  return new MatchResiduesMover( *this );
}



void
MatchResiduesMover::apply( core::pose::Pose & pose ) 
{
  using protocols::moves::MS_SUCCESS;
  using protocols::moves::FAIL_DO_NOT_RETRY;

  VecSize matched_pos;
  core::Real rms = compute(pose, matched_pos);
  bool pass( rms < threshold() ); 
  if(pass)
    set_last_move_status( MS_SUCCESS );
  else
    set_last_move_status( FAIL_DO_NOT_RETRY );
  
  if(superimpose_ && pass ){
    superimpose_comb(pose, matched_pos);
  }
}

void 
MatchResiduesMover::parse_my_tag( 
  utility::tag::TagPtr const tag,
  protocols::moves::DataMap & data,
  protocols::filters::Filters_map const & filters,
  protocols::moves::Movers_map const & movers,
  core::pose::Pose const & pose )
{
  MatchResidues::parse_my_tag(tag, data, filters, movers, pose);
  superimpose_ = tag->getOption< bool >("superimpose", false);
}

} // fldsgn
} // protocols