InteractionGraphPerformanceBenchmark Class Reference

#include <InteractionGraph.bench.hh>

Inheritance diagram for InteractionGraphPerformanceBenchmark:

Public Member Functions
	InteractionGraphPerformanceBenchmark (std::string name, interaction_graph_perf_benchmark benchtype, core::Size base_scale=1)
void	setUp () override
void	run (core::Real scaleFactor) override
void	tearDown () override
void	setup_for_score12 ()
void	setup_for_current_default_sfxn ()
void	setup_for_sc12sp2 ()
void	setup_for_sc12he ()
void	setup_for_mmstd ()
void	setup_for_sp2hecart ()
core::pack::task::PackerTaskOP	redesign_20 ()
void	prepare_rotamer_sets ()
void	setup_for_linmemig ()
void	setup_for_pdig ()
void	setup_for_denseig ()
Public Member Functions inherited from PerformanceBenchmark
	PerformanceBenchmark (std::string name)
virtual	~PerformanceBenchmark ()
double	execute (core::Real scaleFactor)
std::string	name ()

Private Attributes
interaction_graph_perf_benchmark	benchtype_
core::pose::PoseOP	pose_
core::scoring::ScoreFunctionOP	scorefxn_
core::pack::interaction_graph::InteractionGraphBaseOP	ig_
core::pack::task::PackerTaskOP	task_
core::pack::rotamer_set::RotamerSetsOP	rotsets_
utility::graph::GraphOP	packer_neighbor_graph_
std::string	trajectory_fname_
core::Size	base_scale_
bool	configured_for_score12_ = false

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

InteractionGraphPerformanceBenchmark::InteractionGraphPerformanceBenchmark ( std::string  name, interaction_graph_perf_benchmark  benchtype, core::Size  base_scale = 1  )

inline

Member Function Documentation

void InteractionGraphPerformanceBenchmark::prepare_rotamer_sets ( )

inline

References loops::pack, packer_neighbor_graph_, pose_, rotsets_, scorefxn_, test.G200_Module_Region::task, and task_.

Referenced by setup_for_denseig(), setup_for_linmemig(), and setup_for_pdig().

core::pack::task::PackerTaskOP InteractionGraphPerformanceBenchmark::redesign_20 ( )

inline

References test.T200_Scoring::ii, pose_, and test.G200_Module_Region::task.

Referenced by setup_for_denseig(), setup_for_linmemig(), and setup_for_pdig().

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

inlineoverridevirtual

Reimplemented from PerformanceBenchmark.

References basic::options::OptionKeys::flexpack::annealer::annealer, base_scale_, ig_, test.T200_Scoring::ii, loops::pack, pose_, rotsets_, and trajectory_fname_.

void InteractionGraphPerformanceBenchmark::setUp ( )

inlineoverridevirtual

Reimplemented from PerformanceBenchmark.

References benchtype_, configured_for_score12_, interaction_graph_perfbench_denseig_current_default_sfxn, interaction_graph_perfbench_denseig_score12, interaction_graph_perfbench_linmemig_current_default_sfxn, interaction_graph_perfbench_linmemig_mmstd, interaction_graph_perfbench_linmemig_sc12he, interaction_graph_perfbench_linmemig_sc12sp2, interaction_graph_perfbench_linmemig_score12, interaction_graph_perfbench_pdig_current_default_sfxn, interaction_graph_perfbench_pdig_score12, basic::options::option, pose_, pyrosetta.distributed.io::pose_from_file, basic::options::OptionKeys::mistakes::restore_pre_talaris_2013_behavior, scorefxn_, setup_for_current_default_sfxn(), setup_for_denseig(), setup_for_linmemig(), setup_for_mmstd(), setup_for_pdig(), setup_for_sc12he(), setup_for_sc12sp2(), setup_for_score12(), trajectory_fname_, and utility_exit_with_message.

void InteractionGraphPerformanceBenchmark::setup_for_current_default_sfxn ( )

inline

References configured_for_score12_, runtime_assert_string_msg, scorefxn_, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by setUp().

void InteractionGraphPerformanceBenchmark::setup_for_denseig ( )

inline

References ig_, test.T200_Scoring::ii, basic::options::OptionKeys::multithreading::interaction_graph_threads, basic::options::option, packer_neighbor_graph_, pose_, prepare_rotamer_sets(), redesign_20(), rotsets_, scorefxn_, and task_.

Referenced by setUp().

void InteractionGraphPerformanceBenchmark::setup_for_linmemig ( )

inline

References ig_, basic::options::OptionKeys::multithreading::interaction_graph_threads, basic::options::option, packer_neighbor_graph_, pose_, prepare_rotamer_sets(), redesign_20(), rotsets_, scorefxn_, and task_.

Referenced by setUp().

void InteractionGraphPerformanceBenchmark::setup_for_mmstd ( )

inline

References scorefxn_, and basic::options::OptionKeys::frags::scoring::scoring.

Referenced by setUp().

void InteractionGraphPerformanceBenchmark::setup_for_pdig ( )

inline

References ig_, basic::options::OptionKeys::multithreading::interaction_graph_threads, basic::options::option, packer_neighbor_graph_, pose_, prepare_rotamer_sets(), redesign_20(), rotsets_, scorefxn_, and task_.

Referenced by setUp().

void InteractionGraphPerformanceBenchmark::setup_for_sc12he ( )

inline

References configured_for_score12_, basic::options::OptionKeys::AnchoredDesign::filters::omega, basic::options::OptionKeys::corrections::score::p_aa_pp, basic::options::OptionKeys::remodel::rama, scorefxn_, basic::options::OptionKeys::frags::scoring::scoring, TR2, and basic::Tracer::Warning.

Referenced by setUp().

void InteractionGraphPerformanceBenchmark::setup_for_sc12sp2 ( )

inline

References configured_for_score12_, basic::options::OptionKeys::AnchoredDesign::filters::omega, basic::options::OptionKeys::corrections::score::p_aa_pp, basic::options::OptionKeys::remodel::rama, scorefxn_, basic::options::OptionKeys::frags::scoring::scoring, TR2, and basic::Tracer::Warning.

Referenced by setUp().

void InteractionGraphPerformanceBenchmark::setup_for_score12 ( )

inline

References configured_for_score12_, basic::options::OptionKeys::AnchoredDesign::filters::omega, basic::options::OptionKeys::corrections::score::p_aa_pp, basic::options::OptionKeys::remodel::rama, scorefxn_, basic::options::OptionKeys::frags::scoring::scoring, TR2, and basic::Tracer::Warning.

Referenced by setUp().

void InteractionGraphPerformanceBenchmark::setup_for_sp2hecart ( )

inline

References configured_for_score12_, basic::options::OptionKeys::AnchoredDesign::filters::omega, basic::options::OptionKeys::corrections::score::p_aa_pp, basic::options::OptionKeys::remodel::rama, scorefxn_, basic::options::OptionKeys::frags::scoring::scoring, TR2, and basic::Tracer::Warning.

void InteractionGraphPerformanceBenchmark::tearDown ( )

inlineoverridevirtual

Reimplemented from PerformanceBenchmark.

References ig_, packer_neighbor_graph_, pose_, rotsets_, scorefxn_, and task_.

Member Data Documentation

core::Size InteractionGraphPerformanceBenchmark::base_scale_

private

Referenced by run().

interaction_graph_perf_benchmark InteractionGraphPerformanceBenchmark::benchtype_

private

Referenced by setUp().

bool InteractionGraphPerformanceBenchmark::configured_for_score12_ = false

private

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

core::pack::interaction_graph::InteractionGraphBaseOP InteractionGraphPerformanceBenchmark::ig_

private

Referenced by run(), setup_for_denseig(), setup_for_linmemig(), setup_for_pdig(), and tearDown().

utility::graph::GraphOP InteractionGraphPerformanceBenchmark::packer_neighbor_graph_

private

Referenced by prepare_rotamer_sets(), setup_for_denseig(), setup_for_linmemig(), setup_for_pdig(), and tearDown().

core::pose::PoseOP InteractionGraphPerformanceBenchmark::pose_

private

Referenced by sidechain_cst_3.Residue::pose_num(), prepare_rotamer_sets(), redesign_20(), run(), setUp(), setup_for_denseig(), setup_for_linmemig(), setup_for_pdig(), and tearDown().

core::pack::rotamer_set::RotamerSetsOP InteractionGraphPerformanceBenchmark::rotsets_

private

Referenced by prepare_rotamer_sets(), run(), setup_for_denseig(), setup_for_linmemig(), setup_for_pdig(), and tearDown().

core::scoring::ScoreFunctionOP InteractionGraphPerformanceBenchmark::scorefxn_

private

Referenced by prepare_rotamer_sets(), setUp(), setup_for_current_default_sfxn(), setup_for_denseig(), setup_for_linmemig(), setup_for_mmstd(), setup_for_pdig(), setup_for_sc12he(), setup_for_sc12sp2(), setup_for_score12(), setup_for_sp2hecart(), and tearDown().

core::pack::task::PackerTaskOP InteractionGraphPerformanceBenchmark::task_

private

Referenced by prepare_rotamer_sets(), setup_for_denseig(), setup_for_linmemig(), setup_for_pdig(), and tearDown().

std::string InteractionGraphPerformanceBenchmark::trajectory_fname_

private

Referenced by run(), and setUp().

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

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