Rosetta 3.4
Public Member Functions | Protected Member Functions
protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator Class Reference

#include <RotamerBoltzCalculator.hh>

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List of all members.

Public Member Functions

 RotamerBoltzCalculator (core::scoring::ScoreFunctionOP scorefxn, core::Real temp, core::Real repacking_radius=6.0)
utility::vector1< core::RealcomputeAllBoltz (core::pose::Pose &pose)
core::Real computeBoltzWeight (core::pose::Pose &pose, core::Size resi)
core::pose::metrics::PoseMetricCalculatorOP clone () const

Protected Member Functions

virtual void lookup (std::string const &key, basic::MetricValueBase *valptr) const
virtual std::string print (std::string const &key) const
virtual void recompute (core::pose::Pose const &this_pose)
core::Real computeBoltzWeight (core::pose::Pose &pose, core::Size resi, protocols::simple_moves::MinMoverOP min_mover, core::pack::task::PackerTaskOP task)
core::scoring::ScoreFunctionOP scorefxn () const
core::Real computeBoltzSum (core::Real init_score, utility::vector1< core::Real > scores)
protocols::simple_moves::MinMoverOP init_minmover (core::pose::Pose &pose, core::Size resi, bool unbound, core::pack::task::PackerTaskOP task)
core::pack::task::PackerTaskOP init_task (core::pose::Pose &pose, core::Size resi)
protocols::simple_filters::ScoreTypeFilter stf ()
void temperature (core::Real temp)
void repacking_radius (core::Real rad)
core::Real repacking_radius () const
core::Real temperature () const

Constructor & Destructor Documentation

protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::RotamerBoltzCalculator ( core::scoring::ScoreFunctionOP  scorefxn,
core::Real  temp,
core::Real  repacking_radius = 6.0 
)

References repacking_radius(), scorefxn(), and temperature().

Referenced by clone().


Member Function Documentation

core::pose::metrics::PoseMetricCalculatorOP protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::clone ( ) const [inline, virtual]
utility::vector1< core::Real > protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::computeAllBoltz ( core::pose::Pose pose)
core::Real protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::computeBoltzSum ( core::Real  init_score,
utility::vector1< core::Real scores 
) [protected]

References temperature().

Referenced by computeBoltzWeight().

core::Real protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::computeBoltzWeight ( core::pose::Pose pose,
core::Size  resi 
)
core::Real protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::computeBoltzWeight ( core::pose::Pose pose,
core::Size  resi,
protocols::simple_moves::MinMoverOP  min_mover,
core::pack::task::PackerTaskOP  task 
) [protected]
protocols::simple_moves::MinMoverOP protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::init_minmover ( core::pose::Pose pose,
core::Size  resi,
bool  unbound,
core::pack::task::PackerTaskOP  task 
) [protected]
core::pack::task::PackerTaskOP protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::init_task ( core::pose::Pose pose,
core::Size  resi 
) [protected]
void protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::lookup ( std::string const &  key,
basic::MetricValueBase *  valptr 
) const [protected, virtual]
std::string protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::print ( std::string const &  key) const [protected, virtual]
void protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::recompute ( core::pose::Pose const &  this_pose) [protected, virtual]
core::Real protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::repacking_radius ( ) const [inline, protected]
void protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::repacking_radius ( core::Real  rad) [inline, protected]
core::scoring::ScoreFunctionOP protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::scorefxn ( ) const [inline, protected]
protocols::simple_filters::ScoreTypeFilter protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::stf ( ) [inline, protected]

Referenced by computeBoltzWeight().

core::Real protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::temperature ( ) const [inline, protected]
void protocols::toolbox::pose_metric_calculators::RotamerBoltzCalculator::temperature ( core::Real  temp) [inline, protected]

The documentation for this class was generated from the following files:
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