FoldTreeFromLoopsWrapper.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.

/// @file protocols/loops/FoldTreeFromLoops.cc
/// @brief
/// @author Sarel Fleishman (sarelf@u.washington.edu)

// Unit headers
#include <protocols/loops/FoldTreeFromLoopsWrapper.hh>
#include <protocols/loops/FoldTreeFromLoopsWrapperCreator.hh>

// Package headers
#include <protocols/loops/Loop.hh>
#include <protocols/loops/Loops.hh>
#include <protocols/loops/loops_main.hh>
#include <protocols/loops/util.hh>
#include <protocols/loops/loops_definers/util.hh>

// Project headers
#include <core/kinematics/FoldTree.hh>
#include <core/pose/Pose.hh>

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

namespace protocols {
namespace loops {

static basic::Tracer TR( "protocols.loops.FoldTreeFromLoopsWrapper" );

FoldTreeFromLoops::FoldTreeFromLoops() :
Mover( FoldTreeFromLoopsCreator::mover_name() ), loop_str_( "" )
{
  loops_ = new Loops;
  loops_->clear();
}


FoldTreeFromLoops::~FoldTreeFromLoops() {}

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

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

void
FoldTreeFromLoops::apply( core::pose::Pose & pose )
{
  if( loops()->empty() ) {
    utility_exit_with_message( "No loops were specified");
  }
  core::kinematics::FoldTree f;
  fold_tree_from_loops( pose, *loops(), f );
  TR<<"old foldtree "<<pose.fold_tree()<<"\nNew foldtree ";
  pose.fold_tree( f );
  TR<<pose.fold_tree()<<std::endl;
}

std::string
FoldTreeFromLoops::get_name() const {
  return FoldTreeFromLoopsCreator::mover_name();
}

void
FoldTreeFromLoops::parse_my_tag(
  TagPtr const tag,
  protocols::moves::DataMap & data,
  protocols::filters::Filters_map const &,
  protocols::moves::Movers_map const &,
  core::pose::Pose const & pose
) {
  
  loops_ = loops_definers::load_loop_definitions(tag, data, pose);
}

void FoldTreeFromLoops::loop_str( std::string const str )
{
  loop_str_ = str;
}
std::string FoldTreeFromLoops::loop_str() const
{
  return loop_str_;
}

void FoldTreeFromLoops::loops( LoopsOP const l )
{
  loops_ = l;
}

LoopsOP FoldTreeFromLoops::loops() const
{
  return loops_;
}

std::string
FoldTreeFromLoopsCreator::keyname() const
{
  return FoldTreeFromLoopsCreator::mover_name();
}

protocols::moves::MoverOP
FoldTreeFromLoopsCreator::create_mover() const {
  return new FoldTreeFromLoops;
}

std::string
FoldTreeFromLoopsCreator::mover_name()
{
  return "FoldTreeFromLoops";
}

} // namespace loops
} // namespace protocols