Rosetta: protocols::ligand_docking::ga_ligand_dock::GADockStageParams Struct Reference

Rosetta

represent options for a single "phase" of ligand docking More...

#include <GAOptimizer.hh>

Public Member Functions
	GADockStageParams ()

	GADockStageParams (core::Size repeats_in, core::Size pool_in, core::Real rmsthreshold_in, core::Real pmut_in, core::Real maxiter_in, core::Real packcycles_in, core::Real smoothing_in, utility::vector1< core::Real > const &ramp_schedule_in)

Public Attributes
core::Size	repeats

core::Size	pool

core::Real	rmsthreshold

core::Real	pmut

core::Real	maxiter

core::Real	packcycles

core::Real	smoothing

core::Real	elec_scale

utility::vector1< core::Real >	ramp_schedule

Detailed Description

represent options for a single "phase" of ligand docking

Constructor & Destructor Documentation

◆ GADockStageParams() [1/2]

protocols::ligand_docking::ga_ligand_dock::GADockStageParams::GADockStageParams ( )

inline

◆ GADockStageParams() [2/2]

protocols::ligand_docking::ga_ligand_dock::GADockStageParams::GADockStageParams	(	core::Size	repeats_in,
		core::Size	pool_in,
		core::Real	rmsthreshold_in,
		core::Real	pmut_in,
		core::Real	maxiter_in,
		core::Real	packcycles_in,
		core::Real	smoothing_in,
		utility::vector1< core::Real > const &	ramp_schedule_in
	)

inline

Member Data Documentation

◆ elec_scale

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::elec_scale

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run(), and protocols::ligand_docking::ga_ligand_dock::GALigandDock::setup_params_for_runmode().

◆ maxiter

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::maxiter

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run(), and protocols::ligand_docking::ga_ligand_dock::GALigandDock::setup_params_for_runmode().

◆ packcycles

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::packcycles

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

◆ pmut

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::pmut

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

◆ pool

core::Size protocols::ligand_docking::ga_ligand_dock::GADockStageParams::pool

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

◆ ramp_schedule

utility::vector1<core::Real> protocols::ligand_docking::ga_ligand_dock::GADockStageParams::ramp_schedule

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

◆ repeats

core::Size protocols::ligand_docking::ga_ligand_dock::GADockStageParams::repeats

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

◆ rmsthreshold

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::rmsthreshold

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

◆ smoothing

core::Real protocols::ligand_docking::ga_ligand_dock::GADockStageParams::smoothing

Referenced by protocols::ligand_docking::ga_ligand_dock::GALigandDock::parse_my_tag(), and protocols::ligand_docking::ga_ligand_dock::GAOptimizer::run().

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

src/protocols/ligand_docking/GALigandDock/GAOptimizer.hh