ConstraintFactory.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 core/scoring/constraints/ConstraintFactory.cc
/// @brief Factory for creating various types of constraints.
/// @author Greg Taylor <gktaylor@u.washington.edu>

// Unit headers
#include <core/scoring/constraints/ConstraintFactory.hh>

// Package headers
#include <core/scoring/constraints/Constraint.hh>
#include <core/scoring/constraints/ConstraintCreator.hh>

#include <utility/vector1.hh>


//#include <core/scoring/constraints/AtomPairConstraint.hh>
//#include <core/scoring/constraints/DunbrackConstraint.hh>
//#include <core/scoring/constraints/AmbiguousConstraint.hh>
//#include <core/scoring/constraints/KofNConstraint.hh>
//#include <core/scoring/constraints/AngleConstraint.hh>
//#include <core/scoring/constraints/BigBinConstraint.hh>
//#include <core/scoring/constraints/DihedralConstraint.hh>
//#include <core/scoring/constraints/BindingSiteConstraint.hh>
//#include <core/scoring/constraints/BindingSiteConstraintResidues.hh>
//#include <core/scoring/constraints/CoordinateConstraint.hh>
//#include <core/scoring/constraints/MultiConstraint.hh>
//#include <core/scoring/constraints/LocalCoordinateConstraint.hh>
//#include <core/scoring/constraints/AmbiguousNMRDistanceConstraint.hh>
//#include <core/scoring/constraints/AmbiguousNMRConstraint.hh>
//#include <core/scoring/constraints/ResidueTypeConstraint.hh>

namespace core {
namespace scoring {
namespace constraints {

ConstraintFactory * ConstraintFactory::instance_( 0 );

/// @details Private constructor insures correctness of singleton.
ConstraintFactory::ConstraintFactory() {}

ConstraintFactory *
ConstraintFactory::get_instance()
{
  if ( instance_ == 0 ) {
    instance_ = new ConstraintFactory;
  }
  return instance_;
}

/*
void
ConstraintFactory::add_type( ConstraintOP new_func ) {
  std::string type_name = new_func->type();
  if ( type_name == "UNKNOWN_TYPE" ) {
    utility_exit_with_message(
      "failed to register Constraint... define method type() for your constraint!"
    );
  }
  cst_types_[ type_name ] = new_func;
}

void
ConstraintFactory::add_type( std::string const & type_name, ConstraintOP new_func ) {
   cst_types_[ type_name ] = new_func;
}*/

void
ConstraintFactory::factory_register( ConstraintCreatorCOP creator )
{
  cst_types_[ creator->keyname() ] = creator;
}

ConstraintOP
ConstraintFactory::newConstraint( std::string const & type_name )
{
  ConstraintCreatorMap::const_iterator iter = cst_types_.find( type_name );
  if ( iter != cst_types_.end() ) {
    return iter->second->create_constraint();
  } else {

    using std::string;
    using utility::vector1;
    string msg("ConstraintFactory::newConstraint:  ");
    msg += type_name + " does not name a known ConstraintType --> " +
      "check spelling or register new Constraint type in ConstraintFactory!";

    msg += "known types are:\n";
    vector1< string > types = get_cst_names();
    for ( vector1< string >::const_iterator it = types.begin(), end = types.end(); it != end; ++it ) {
      msg += *it + "\n";
    }

    utility_exit_with_message( msg );
  }
  return 0;
}

utility::vector1< std::string >
ConstraintFactory::get_cst_names() const {
  using std::string;
  using utility::vector1;

  vector1< string > cst_names;
  for ( ConstraintCreatorMap::const_iterator
      it = cst_types_.begin(), end = cst_types_.end(); it != end; ++it ) {
    cst_names.push_back( it->first );
  }

  return cst_names;
}

void ConstraintFactory::replace_creator( ConstraintCreatorCOP creator )
{
  cst_types_[ creator->keyname() ] = creator;
}

ConstraintCreatorCOP
ConstraintFactory::get_creator( std::string const & type_name )
{
  ConstraintCreatorMap::const_iterator iter = cst_types_.find( type_name );
  if ( iter != cst_types_.end() ) {
    return iter->second;
  } else {

    using std::string;
    using utility::vector1;
    string msg("ConstraintFactory::get_creator:  ");
    msg += type_name + " does not name a known ConstraintType --> " +
      "check spelling or register new Constraint type in ConstraintFactory!";

    msg += "known types are:\n";
    vector1< string > types = get_cst_names();
    for ( vector1< string >::const_iterator it = types.begin(), end = types.end(); it != end; ++it ) {
      msg += *it + "\n";
    }

    utility_exit_with_message( msg );
  }
  return 0;
}


/*ConstraintFactory::ConstraintFactory(void) {
  // initialization of functions which this factory knows how to instantiate
  add_type( new AtomPairConstraint( id::AtomID(), id::AtomID(), NULL ) );
  add_type( new AngleConstraint( id::AtomID(), id::AtomID(), id::AtomID(), NULL ) );
  add_type( new DihedralConstraint( id::AtomID(), id::AtomID(), id::AtomID(), id::AtomID(), NULL ) );
  add_type( new InterfaceConstraint( id::AtomID(), NULL ) );
  add_type( new BindingSiteConstraint() );
  add_type( new BindingSiteConstraintResidues() );
  add_type( new BigBinConstraint() );
  add_type( new MultiConstraint() );
  add_type( new AmbiguousConstraint() );
  add_type( new KofNConstraint() );
  add_type( new CoordinateConstraint() );
  add_type( new LocalCoordinateConstraint() );
  add_type( new DunbrackConstraint() );
  add_type( new AmbiguousNMRDistanceConstraint() );
  add_type( new AmbiguousNMRConstraint() );
  add_type( new ResidueTypeConstraint() );

  add_type( new AmbiguousConstraint() );
  add_type( new AmbiguousNMRConstraint() );
  add_type( new AmbiguousNMRDistanceConstraint() );
  add_type( new AngleConstraint( id::AtomID(), id::AtomID(), id::AtomID(), NULL ) );
  add_type( new AtomPairConstraint( id::AtomID(), id::AtomID(), NULL ) );
  add_type( new BigBinConstraint() );
  add_type( new BindingSiteConstraint() );
  add_type( new BindingSiteConstraintResidues() );
  add_type( new CoordinateConstraint() );
  add_type( new DihedralConstraint( id::AtomID(), id::AtomID(), id::AtomID(), id::AtomID(), NULL ) );
  add_type( new DunbrackConstraint() );
  add_type( new KofNConstraint() );
  add_type( new LocalCoordinateConstraint() );
  add_type( new MultiConstraint() );


}*/

} // constraints
} // scoring
} // core