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Public Member Functions | Private Attributes | List of all members
InteractionGraphPerformanceBenchmark Class Reference

#include <InteractionGraph.bench.hh>

Inheritance diagram for InteractionGraphPerformanceBenchmark:
Inheritance graph
[legend]

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

Member Function Documentation

◆ prepare_rotamer_sets()

void InteractionGraphPerformanceBenchmark::prepare_rotamer_sets ( )
inline

References packer_neighbor_graph_, pose_, rotsets_, scorefxn_, vancomycin::task, and task_.

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

◆ redesign_20()

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

References create_a3b_hbs::ii, pose_, and vancomycin::task.

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

◆ run()

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

Reimplemented from PerformanceBenchmark.

References base_scale_, ig_, create_a3b_hbs::ii, pose_, rotsets_, and trajectory_fname_.

◆ setUp()

void InteractionGraphPerformanceBenchmark::setUp ( )
inlineoverridevirtual

Reimplemented from PerformanceBenchmark.

References benchtype_, configured_for_score12_, enumerate_junctions::default, 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.

◆ setup_for_current_default_sfxn()

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().

◆ setup_for_denseig()

void InteractionGraphPerformanceBenchmark::setup_for_denseig ( )
inline

References ig_, create_a3b_hbs::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().

◆ setup_for_linmemig()

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().

◆ setup_for_mmstd()

void InteractionGraphPerformanceBenchmark::setup_for_mmstd ( )
inline

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

Referenced by setUp().

◆ setup_for_pdig()

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().

◆ setup_for_sc12he()

void InteractionGraphPerformanceBenchmark::setup_for_sc12he ( )
inline

References configured_for_score12_, test.T220_AtomAtomPairEnergies::fa_elec, 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().

◆ setup_for_sc12sp2()

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().

◆ setup_for_score12()

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().

◆ setup_for_sp2hecart()

void InteractionGraphPerformanceBenchmark::setup_for_sp2hecart ( )
inline

References configured_for_score12_, test.T220_AtomAtomPairEnergies::fa_elec, 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.

◆ tearDown()

void InteractionGraphPerformanceBenchmark::tearDown ( )
inlineoverridevirtual

Reimplemented from PerformanceBenchmark.

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

Member Data Documentation

◆ base_scale_

core::Size InteractionGraphPerformanceBenchmark::base_scale_
private

Referenced by run().

◆ benchtype_

interaction_graph_perf_benchmark InteractionGraphPerformanceBenchmark::benchtype_
private

Referenced by setUp().

◆ configured_for_score12_

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().

◆ ig_

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

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

◆ packer_neighbor_graph_

utility::graph::GraphOP InteractionGraphPerformanceBenchmark::packer_neighbor_graph_
private

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

◆ pose_

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().

◆ rotsets_

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().

◆ scorefxn_

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().

◆ task_

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

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

◆ trajectory_fname_

std::string InteractionGraphPerformanceBenchmark::trajectory_fname_
private

Referenced by run(), and setUp().

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