protocols::ligand_docking::TransformEnsemble_info Struct Reference

#include <TransformEnsemble.hh>

Public Member Functions
	TransformEnsemble_info ()=default
	TransformEnsemble_info (TransformEnsemble_info const &)=default
utility::vector1< core::Size >	chain_ids (core::pose::Pose const &pose) const
utility::vector1< core::Size >	jump_ids (core::pose::Pose const &pose) const

Public Attributes
utility::vector1< std::string >	chains
core::Real	move_distance = 0
core::Real	box_size = 0
core::Real	angle = 0
core::Size	cycles = 0
core::Real	temperature
core::Size	repeats = 1

Constructor & Destructor Documentation

TransformEnsemble_info() [1/2]

protocols::ligand_docking::TransformEnsemble_info::TransformEnsemble_info ( )

default

TransformEnsemble_info() [2/2]

protocols::ligand_docking::TransformEnsemble_info::TransformEnsemble_info ( TransformEnsemble_info const &  )

default

Member Function Documentation

chain_ids()

utility::vector1< core::Size > protocols::ligand_docking::TransformEnsemble_info::chain_ids

(

core::pose::Pose const &

pose

)

const

References chains, and core::pose::get_chain_id_from_chain().

Referenced by protocols::ligand_docking::TransformEnsemble::apply(), protocols::ligand_docking::TransformEnsemble::convert_to_full_pose(), and jump_ids().

jump_ids()

utility::vector1< core::Size > protocols::ligand_docking::TransformEnsemble_info::jump_ids

(

core::pose::Pose const &

pose

)

const

References chain_ids(), and core::pose::get_jump_id_from_chain_id().

Referenced by protocols::ligand_docking::TransformEnsemble::apply().

Member Data Documentation

angle

core::Real protocols::ligand_docking::TransformEnsemble_info::angle = 0

Referenced by protocols::ligand_docking::TransformEnsemble::parse_my_tag(), protocols::ligand_docking::TransformEnsemble::transform_ligand(), and protocols::ligand_docking::TransformEnsemble::TransformEnsemble().

box_size

core::Real protocols::ligand_docking::TransformEnsemble_info::box_size = 0

Referenced by protocols::ligand_docking::TransformEnsemble::check_grid(), protocols::ligand_docking::TransformEnsemble::parse_my_tag(), and protocols::ligand_docking::TransformEnsemble::TransformEnsemble().

chains

utility::vector1<std::string> protocols::ligand_docking::TransformEnsemble_info::chains

Referenced by protocols::ligand_docking::TransformEnsemble::apply(), chain_ids(), protocols::ligand_docking::TransformEnsemble::make_multi_pose_grids(), protocols::ligand_docking::TransformEnsemble::parse_my_tag(), and protocols::ligand_docking::TransformEnsemble::TransformEnsemble().

cycles

core::Size protocols::ligand_docking::TransformEnsemble_info::cycles = 0

Referenced by protocols::ligand_docking::TransformEnsemble::apply(), protocols::ligand_docking::TransformEnsemble::parse_my_tag(), and protocols::ligand_docking::TransformEnsemble::TransformEnsemble().

move_distance

core::Real protocols::ligand_docking::TransformEnsemble_info::move_distance = 0

Referenced by protocols::ligand_docking::TransformEnsemble::parse_my_tag(), protocols::ligand_docking::TransformEnsemble::transform_ligand(), and protocols::ligand_docking::TransformEnsemble::TransformEnsemble().

repeats

core::Size protocols::ligand_docking::TransformEnsemble_info::repeats = 1

Referenced by protocols::ligand_docking::TransformEnsemble::apply(), and protocols::ligand_docking::TransformEnsemble::parse_my_tag().

temperature

core::Real protocols::ligand_docking::TransformEnsemble_info::temperature

Referenced by protocols::ligand_docking::TransformEnsemble::monte_carlo(), protocols::ligand_docking::TransformEnsemble::parse_my_tag(), and protocols::ligand_docking::TransformEnsemble::TransformEnsemble().

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

• src/protocols/ligand_docking/TransformEnsemble.hh
• src/protocols/ligand_docking/TransformEnsemble.cc