MolecularMassFilter.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file protocols/ligand_docking/MolecularMassFilter.hh
/// @brief Find packing defects at an interface using packstat score terms
/// @author Jacob Corn (jecorn@u.washington.edu)

#ifndef INCLUDED_protocols_ligand_docking_MolecularMassFilter_hh
#define INCLUDED_protocols_ligand_docking_MolecularMassFilter_hh


// AUTO-REMOVED #include <core/pose/Pose.hh>
#include <core/types.hh>
#include <protocols/filters/Filter.hh>

#include <utility/tag/Tag.fwd.hh>
// AUTO-REMOVED #include <list>

#include <utility/vector1.hh>


namespace protocols {
namespace ligand_docking {

class MolecularMassFilter : public protocols::filters::Filter
{
public:
  MolecularMassFilter() :
    //utility::pointer::ReferenceCount(),
    protocols::filters::Filter( "MolecularMass" )
  {}

  MolecularMassFilter(std::string chain, core::Size molecular_mass_limit ) :
    //utility::pointer::ReferenceCount(),
    protocols::filters::Filter( "MolecularMass" ),
    chain_(chain),
    mass_limit_(molecular_mass_limit)
  {}

  MolecularMassFilter( MolecularMassFilter const & init ) :
    //utility::pointer::ReferenceCount(),
    protocols::filters::Filter( init ),
    chain_(init.chain_),
    mass_limit_(init.mass_limit_)

  {};

  virtual ~MolecularMassFilter(){};

  bool apply( core::pose::Pose const & pose ) const;
  protocols::filters::FilterOP clone() const {
    return new MolecularMassFilter( *this );
  }

  protocols::filters::FilterOP fresh_instance() const{
    return new MolecularMassFilter();
  }

  void parse_my_tag( utility::tag::TagPtr const tag, protocols::moves::DataMap &, protocols::filters::Filters_map const &, protocols::moves::Movers_map const &, core::pose::Pose const & reference_pose );

private:
  std::string chain_;
  core::Size mass_limit_;
};
} // ligand_docking
} // protocols

#endif //INCLUDED_protocols_ProteinInterfaceDesign_ligand_docking_MolecularMassFilter_HH_