ModifyAnnealer.cc

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/// @file ModifyAnnealer.cc
///
/// @brief Task operation to set high and low temps for annealer as well as whether or not to do a quench step
/// @author Tim Jacobs

//Unit Headers
#include <protocols/toolbox/task_operations/ModifyAnnealer.hh>
#include <protocols/toolbox/task_operations/ModifyAnnealerCreator.hh>

//Core Headers
#include <core/pack/task/PackerTask.hh>

//Utility Headers
#include <utility/tag/Tag.hh>


namespace protocols {
namespace toolbox {
namespace task_operations {

  //initialize to default packer settings
  ModifyAnnealer::ModifyAnnealer():
  disallow_quench_(false),
  high_temp_(100.0),
  low_temp_(0.3)
  {}
  
  ModifyAnnealer::ModifyAnnealer(bool disallow_quench, core::Real high_temp, core::Real low_temp):
  disallow_quench_(disallow_quench),
  high_temp_(high_temp),
  low_temp_(low_temp)
  {}
  
  ModifyAnnealer::~ModifyAnnealer(){}
  
  core::pack::task::operation::TaskOperationOP ModifyAnnealer::clone() const{
    return new ModifyAnnealer( *this );
  }
  
  void ModifyAnnealer::apply( core::pose::Pose const &, core::pack::task::PackerTask & task ) const{
    task.disallow_quench(disallow_quench_);
    task.high_temp(high_temp_);
    task.low_temp(low_temp_);
  }
  
  void ModifyAnnealer::parse_tag( utility::tag::TagPtr tag ){
    disallow_quench_ = tag->getOption< bool >("disallow_quench", false);
    high_temp_ = tag->getOption< core::Real >("high_temp", 100.0);
    low_temp_ = tag->getOption< core::Real >("low_temp", 0.3);
  }
  
  core::pack::task::operation::TaskOperationOP ModifyAnnealerCreator::create_task_operation() const
  {
    return new ModifyAnnealer;
  }

} //task_operations
} //toolbox
} //protocols