protocols::ligand_docking::Rotate_info Struct Reference

#include <Rotate.hh>

Public Member Functions
	Rotate_info ()=default
core::Size	chain_id (core::pose::Pose const &pose) const
char	chain_letter (core::pose::Pose const &pose) const
core::Size	jump_id (core::pose::Pose const &pose) const
void	set_chain_id (core::Size id)
void	set_chain_letter (std::string const &str)
utility::vector1< core::Size >	tag_along_chain_ids (core::pose::Pose const &pose) const
utility::vector1< core::Size >	tag_along_jumps (core::pose::Pose const &pose) const
utility::vector1< core::Size >	tag_along_residues (core::pose::Pose const &pose) const
void	set_tag_along_chains (utility::vector1< std::string > const &setting)

Public Attributes
Distribution	distribution = Uniform
core::Real	degrees = 0
core::Size	cycles = 0

Private Attributes
bool	by_string_ = true
std::string	chain_string_ = "X"
core::Size	chain_number_ = 0
utility::vector1< std::string >	tag_along_chains_

Constructor & Destructor Documentation

Rotate_info()

protocols::ligand_docking::Rotate_info::Rotate_info ( )

default

Member Function Documentation

chain_id()

core::Size protocols::ligand_docking::Rotate_info::chain_id

(

core::pose::Pose const &

pose

)

const

References by_string_, chain_number_, chain_string_, and core::pose::get_chain_ids_from_chain().

Referenced by protocols::ligand_docking::Rotate::apply(), protocols::ligand_docking::Rotate::create_random_rotation(), protocols::ligand_docking::Rotate::create_random_rotations(), jump_id(), protocols::ligand_docking::Rotate::rotate_ligand(), tag_along_chain_ids(), tag_along_jumps(), and tag_along_residues().

chain_letter()

char protocols::ligand_docking::Rotate_info::chain_letter

(

core::pose::Pose const &

pose

)

const

References by_string_, chain_number_, chain_string_, and core::pose::get_chain_from_chain_id().

jump_id()

core::Size protocols::ligand_docking::Rotate_info::jump_id

(

core::pose::Pose const &

pose

)

const

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

Referenced by protocols::ligand_docking::Rotate::apply(), protocols::ligand_docking::Rotate::create_random_rotation(), protocols::ligand_docking::Rotate::create_random_rotations(), and protocols::ligand_docking::Rotate::rotate_ligand().

set_chain_id()

void protocols::ligand_docking::Rotate_info::set_chain_id

(

core::Size

id

)

References by_string_, and chain_number_.

Referenced by protocols::ligand_docking::Rotate::set_chain_id().

set_chain_letter()

void protocols::ligand_docking::Rotate_info::set_chain_letter

(

std::string const &

str

)

References by_string_, chain_string_, and protocols::kinmatch::str().

Referenced by protocols::ligand_docking::Rotate::parse_my_tag(), and protocols::ligand_docking::Rotate::set_chain().

set_tag_along_chains()

void protocols::ligand_docking::Rotate_info::set_tag_along_chains

(

utility::vector1< std::string > const &

setting

)

References tag_along_chains_.

Referenced by protocols::ligand_docking::Rotate::parse_my_tag().

tag_along_chain_ids()

utility::vector1< core::Size > protocols::ligand_docking::Rotate_info::tag_along_chain_ids

(

core::pose::Pose const &

pose

)

const

References chain_id(), core::pose::get_chain_ids_from_chain(), and tag_along_chains_.

Referenced by protocols::ligand_docking::Rotate::apply(), protocols::ligand_docking::Rotate::create_random_rotation(), tag_along_jumps(), and tag_along_residues().

tag_along_jumps()

utility::vector1< core::Size > protocols::ligand_docking::Rotate_info::tag_along_jumps

(

core::pose::Pose const &

pose

)

const

References chain_id(), core::pose::get_jump_id_from_chain_id(), and tag_along_chain_ids().

Referenced by protocols::ligand_docking::Rotate::create_random_rotation().

tag_along_residues()

utility::vector1< core::Size > protocols::ligand_docking::Rotate_info::tag_along_residues

(

core::pose::Pose const &

pose

)

const

References core::conformation::Conformation::chain_begin(), core::conformation::Conformation::chain_end(), chain_id(), core::pose::Pose::conformation(), and tag_along_chain_ids().

Referenced by protocols::ligand_docking::Rotate::rotate_ligand().

Member Data Documentation

by_string_

bool protocols::ligand_docking::Rotate_info::by_string_ = true

private

Referenced by chain_id(), chain_letter(), set_chain_id(), and set_chain_letter().

chain_number_

core::Size protocols::ligand_docking::Rotate_info::chain_number_ = 0

private

Referenced by chain_id(), chain_letter(), and set_chain_id().

chain_string_

std::string protocols::ligand_docking::Rotate_info::chain_string_ = "X"

private

Referenced by chain_id(), chain_letter(), and set_chain_letter().

cycles

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

Referenced by protocols::ligand_docking::Rotate::create_random_rotations(), protocols::ligand_docking::Rotate::parse_my_tag(), and protocols::ligand_docking::Rotates::parse_my_tag().

degrees

core::Real protocols::ligand_docking::Rotate_info::degrees = 0

Referenced by protocols::ligand_docking::Rotate::parse_my_tag(), protocols::ligand_docking::Rotates::parse_my_tag(), and protocols::ligand_docking::Rotate::rotate_ligand().

distribution

Distribution protocols::ligand_docking::Rotate_info::distribution = Uniform

Referenced by protocols::ligand_docking::Rotate::parse_my_tag(), protocols::ligand_docking::Rotates::parse_my_tag(), and protocols::ligand_docking::Rotate::rotate_ligand().

tag_along_chains_

utility::vector1<std::string> protocols::ligand_docking::Rotate_info::tag_along_chains_

private

Referenced by set_tag_along_chains(), and tag_along_chain_ids().

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

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