FastRelaxPerformanceBenchmark Class Reference

#include <FastRelax.bench.hh>

Inheritance diagram for FastRelaxPerformanceBenchmark:

Public Member Functions
	FastRelaxPerformanceBenchmark (std::string name, fast_relax_perf_benchmark benchtype)
void	setUp () override
void	run (core::Real scaleFactor) override
void	tearDown () override
void	setup_for_score12 ()
void	setup_for_sc12sp2 ()
void	setup_for_sc12he ()
void	setup_for_mmstd ()
void	setup_for_sp2hecart ()
Public Member Functions inherited from PerformanceBenchmark
	PerformanceBenchmark (std::string name)
virtual	~PerformanceBenchmark ()
double	execute (core::Real scaleFactor)
std::string	name ()

Private Attributes
fast_relax_perf_benchmark	benchtype_
core::pose::PoseOP	pose_
core::scoring::ScoreFunctionOP	scorefxn_
protocols::relax::FastRelaxOP	fr_

Additional Inherited Members
Static Public Member Functions inherited from PerformanceBenchmark
static void	executeOneBenchmark (std::string const &name, core::Real scaleFactor=1)
static void	executeAllBenchmarks (core::Real scaleFactor=1)
static std::string	getReport ()
static std::string	getOneReport (std::string const &name)

Constructor & Destructor Documentation

FastRelaxPerformanceBenchmark()

FastRelaxPerformanceBenchmark::FastRelaxPerformanceBenchmark ( std::string  name, fast_relax_perf_benchmark  benchtype  )

inline

Member Function Documentation

run()

void FastRelaxPerformanceBenchmark::run ( core::Real  scaleFactor )

inlineoverridevirtual

Reimplemented from PerformanceBenchmark.

References fr_, create_a3b_hbs::ii, and pose_.

setUp()

void FastRelaxPerformanceBenchmark::setUp ( )

inlineoverridevirtual

Reimplemented from PerformanceBenchmark.

References benchtype_, fast_relax_perfbench_mmstd, fast_relax_perfbench_sc12he, fast_relax_perfbench_sc12sp2, fast_relax_perfbench_score12, fast_relax_perfbench_sp2hecart, pose_, pyrosetta.distributed.io::pose_from_file, scorefxn_, setup_for_mmstd(), setup_for_sc12he(), setup_for_sc12sp2(), setup_for_score12(), and setup_for_sp2hecart().

setup_for_mmstd()

void FastRelaxPerformanceBenchmark::setup_for_mmstd ( )

inline

References fr_, basic::options::OptionKeys::abinitio::relax, scorefxn_, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by setUp().

setup_for_sc12he()

void FastRelaxPerformanceBenchmark::setup_for_sc12he ( )

inline

References test.T220_AtomAtomPairEnergies::fa_elec, fr_, basic::options::OptionKeys::AnchoredDesign::filters::omega, basic::options::OptionKeys::corrections::score::p_aa_pp, basic::options::OptionKeys::remodel::rama, basic::options::OptionKeys::abinitio::relax, scorefxn_, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by setUp().

setup_for_sc12sp2()

void FastRelaxPerformanceBenchmark::setup_for_sc12sp2 ( )

inline

References fr_, basic::options::OptionKeys::AnchoredDesign::filters::omega, basic::options::OptionKeys::corrections::score::p_aa_pp, basic::options::OptionKeys::remodel::rama, basic::options::OptionKeys::abinitio::relax, scorefxn_, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by setUp().

setup_for_score12()

void FastRelaxPerformanceBenchmark::setup_for_score12 ( )

inline

References fr_, basic::options::OptionKeys::AnchoredDesign::filters::omega, basic::options::OptionKeys::corrections::score::p_aa_pp, basic::options::OptionKeys::remodel::rama, basic::options::OptionKeys::abinitio::relax, scorefxn_, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by setUp().

setup_for_sp2hecart()

void FastRelaxPerformanceBenchmark::setup_for_sp2hecart ( )

inline

References test.T220_AtomAtomPairEnergies::fa_elec, fr_, basic::options::OptionKeys::AnchoredDesign::filters::omega, basic::options::OptionKeys::corrections::score::p_aa_pp, basic::options::OptionKeys::remodel::rama, basic::options::OptionKeys::abinitio::relax, scorefxn_, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by setUp().

tearDown()

void FastRelaxPerformanceBenchmark::tearDown ( )

inlineoverridevirtual

Reimplemented from PerformanceBenchmark.

References fr_, pose_, and scorefxn_.

Member Data Documentation

benchtype_

fast_relax_perf_benchmark FastRelaxPerformanceBenchmark::benchtype_

private

Referenced by setUp().

fr_

protocols::relax::FastRelaxOP FastRelaxPerformanceBenchmark::fr_

private

Referenced by run(), setup_for_mmstd(), setup_for_sc12he(), setup_for_sc12sp2(), setup_for_score12(), setup_for_sp2hecart(), and tearDown().

pose_

core::pose::PoseOP FastRelaxPerformanceBenchmark::pose_

private

Referenced by sidechain_cst_3.Residue::pose_num(), run(), setUp(), and tearDown().

scorefxn_

core::scoring::ScoreFunctionOP FastRelaxPerformanceBenchmark::scorefxn_

private

Referenced by setUp(), setup_for_mmstd(), setup_for_sc12he(), setup_for_sc12sp2(), setup_for_score12(), setup_for_sp2hecart(), and tearDown().

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

• src/apps/benchmark/performance/FastRelax.bench.hh