PDDFScoreFilter.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) For more information, see http://www.rosettacommons.org. Questions about this can be
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/// @file PDDFScoreFilter.cc
/// @brief runs reject or accept filters on pose
/// @detailed
///   Contains currently: PDDFScoreFilter
///
///
/// @author Dominik Gront

// Unit Headers
#include <protocols/simple_filters/PDDFScoreFilter.hh>

// Project Headers
// AUTO-REMOVED #include <core/pose/Pose.hh>
#include <core/types.hh>

#include <basic/options/option.hh>
#include <basic/options/keys/filters.OptionKeys.gen.hh>

#include <protocols/scoring/methods/saxs/PDDFEnergy.hh>

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

#include <utility/vector1.hh>




//// C++ headers
static basic::Tracer tr("protocols.simple_filters.PDDFScoreFilter");

namespace protocols {
namespace simple_filters {

PDDFScoreFilter::PDDFScoreFilter() {
  using namespace basic::options;
  using namespace basic::options::OptionKeys;

  score_ = new protocols::scoring::methods::saxs::PDDFEnergy();
  cutoff_ = basic::options::option[ basic::options::OptionKeys::filters::set_pddf_filter ]();
  score_value_ = cutoff_+1;
}


bool PDDFScoreFilter::apply( core::pose::Pose const & pose ) const {


  score_value_ = score_->evaluate_pddf_energy( pose );
  if ( score_value_ > cutoff_ )
    return false;
  return true;
}

} // simple_filters
} // protocols