LigandDockBench Class Reference

#include <LigandDockScript.bench.hh>

Inheritance diagram for LigandDockBench:

Public Member Functions
void	setup ()
	LigandDockBench ()
virtual	~LigandDockBench ()
	LigandDockBench (LigandDockBench const &that)
virtual protocols::moves::MoverOP	clone () const
virtual protocols::moves::MoverOP	fresh_instance () const
virtual std::string	get_name () const
virtual void	apply (core::pose::Pose &pose)

Private Attributes
protocols::ligand_docking::StartFrom	start_from_
protocols::ligand_docking::Translate_info	translate_info_
protocols::ligand_docking::Rotate_info	rotate_info_
protocols::ligand_docking::SlideTogether	slide_together_
protocols::ligand_docking::HighResDocker	high_res_docker_
protocols::ligand_docking::FinalMinimizer	final_minimizer_

Constructor & Destructor Documentation

LigandDockBench::LigandDockBench ( )

inline

virtual LigandDockBench::~LigandDockBench ( )

inlinevirtual

LigandDockBench::LigandDockBench ( LigandDockBench const &  that )

inline

Member Function Documentation

virtual void LigandDockBench::apply ( core::pose::Pose &  pose )

inlinevirtual

References final_minimizer_, high_res_docker_, pyrosetta.bindings.pose::rotate(), rotate_info_, slide_together_, start_from_, pyrosetta.bindings.pose::translate(), and translate_info_.

Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().

virtual protocols::moves::MoverOP LigandDockBench::clone ( ) const

inlinevirtual

virtual protocols::moves::MoverOP LigandDockBench::fresh_instance ( ) const

inlinevirtual

virtual std::string LigandDockBench::get_name ( ) const

inlinevirtual

void LigandDockBench::setup ( )

inline

References final_minimizer_, high_res_docker_, make_scorefxn(), rotate_info_, start_from_, and translate_info_.

Referenced by pyrosetta.distributed.tasks.taskbase.TaskBase::maybe_setup().

Member Data Documentation

protocols::ligand_docking::FinalMinimizer LigandDockBench::final_minimizer_

private

Referenced by apply(), and setup().

protocols::ligand_docking::HighResDocker LigandDockBench::high_res_docker_

private

Referenced by apply(), and setup().

protocols::ligand_docking::Rotate_info LigandDockBench::rotate_info_

private

Referenced by apply(), and setup().

protocols::ligand_docking::SlideTogether LigandDockBench::slide_together_

private

Referenced by apply().

protocols::ligand_docking::StartFrom LigandDockBench::start_from_

private

Referenced by apply(), and setup().

protocols::ligand_docking::Translate_info LigandDockBench::translate_info_

private

Referenced by apply(), and setup().

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

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