a class for holind information about individual backrub segments More...

#include <BackrubSegment.hh>

Public Types
typedef utility::keys::Key3Vector< core::id::AtomID >	BondAngleKey

Public Member Functions
	BackrubSegment (core::id::AtomID start_atomid, core::id::AtomID start_atomid1, core::id::AtomID start_atomid2, core::id::AtomID end_atomid, core::Size size, core::Real max_angle_disp)

core::id::AtomID	start_atomid () const
	get AtomID of starting atom More...

core::id::AtomID	start_atomid1 () const
	get AtomID of first atom along the path from start to end More...

core::id::AtomID	start_atomid2 () const
	get AtomID of second atom along the path from start to end More...

core::id::AtomID	end_atomid () const
	get AtomID of starting atom More...

core::Size	size () const
	get the segment size More...

void	start_atoms1 (core::pose::Pose const &pose, core::kinematics::tree::AtomCOP &start_atom_m1, core::kinematics::tree::AtomCOP &start_atom, core::kinematics::tree::AtomCOP &start_atom_p1) const
	get mainchain atom tree atoms 1 bond away from the start pivot More...

void	start_atoms2 (core::pose::Pose const &pose, core::kinematics::tree::AtomCOP &start_atom_m2, core::kinematics::tree::AtomCOP &start_atom_m1, core::kinematics::tree::AtomCOP &start_atom, core::kinematics::tree::AtomCOP &start_atom_p1, core::kinematics::tree::AtomCOP &start_atom_p2) const
	get mainchain atom tree atoms 2 bonds away from the start pivot More...

BondAngleKey	start_bond_angle_key (core::pose::Pose const &pose)
	get a key representing the starting mainchain bond angle atoms More...

void	end_atoms1 (core::pose::Pose const &pose, core::kinematics::tree::AtomCOP &end_atom_m1, core::kinematics::tree::AtomCOP &end_atom, core::kinematics::tree::AtomCOP &end_atom_p1) const
	get mainchain atom tree atoms 1 bond away from the end pivot More...

void	end_atoms2 (core::pose::Pose const &pose, core::kinematics::tree::AtomCOP &end_atom_m2, core::kinematics::tree::AtomCOP &end_atom_m1, core::kinematics::tree::AtomCOP &end_atom, core::kinematics::tree::AtomCOP &end_atom_p1, core::kinematics::tree::AtomCOP &end_atom_p2) const
	get mainchain atom tree atoms 2 bonds away from the end pivot More...

BondAngleKey	end_bond_angle_key (core::pose::Pose const &pose)
	get a key representing the ending mainchain bond angle atoms More...

core::Real	max_angle_disp () const
	get maximum angular displacement More...

core::Real	angle_disp () const
	get overall angular displacement More...

Static Public Member Functions
static void	bond_angle_atoms (core::pose::Pose const &pose, BackrubSegment::BondAngleKey bond_angle_key, core::kinematics::tree::AtomCOP &atom_m1, core::kinematics::tree::AtomCOP &atom, core::kinematics::tree::AtomCOP &atom_p1)
	get the current bond angle atoms referred to by a key More...

Private Attributes
core::id::AtomID	start_atomid_

core::id::AtomID	start_atomid1_

core::id::AtomID	start_atomid2_

core::id::AtomID	end_atomid_

core::Size	size_

core::Real	max_angle_disp_

core::Real	angle_disp_

Detailed Description

a class for holind information about individual backrub segments

Member Typedef Documentation

◆ BondAngleKey

typedef utility::keys::Key3Vector<core::id::AtomID> protocols::backrub::BackrubSegment::BondAngleKey

Constructor & Destructor Documentation

◆ BackrubSegment()

protocols::backrub::BackrubSegment::BackrubSegment	(	core::id::AtomID	start_atomid,
		core::id::AtomID	start_atomid1,
		core::id::AtomID	start_atomid2,
		core::id::AtomID	end_atomid,
		core::Size	size,
		core::Real	max_angle_disp
	)

inline

Member Function Documentation

◆ angle_disp()

core::Real protocols::backrub::BackrubSegment::angle_disp ( ) const

inline

get overall angular displacement

References angle_disp_.

◆ bond_angle_atoms()

void protocols::backrub::BackrubSegment::bond_angle_atoms	(	core::pose::Pose const &	pose,
		BackrubSegment::BondAngleKey	bond_angle_key,
		core::kinematics::tree::AtomCOP &	atom_m1,
		core::kinematics::tree::AtomCOP &	atom,
		core::kinematics::tree::AtomCOP &	atom_p1
	)

static

get the current bond angle atoms referred to by a key

References core::kinematics::AtomTree::atom(), core::pose::Pose::atom_tree(), and core::kinematics::tree::Atom::get_self_ptr().

◆ end_atomid()

core::id::AtomID protocols::backrub::BackrubSegment::end_atomid ( ) const

inline

get AtomID of starting atom

References end_atomid_.

Referenced by protocols::backrub::BackrubSidechainMover::apply(), protocols::backrub::BackrubMover::dof_id_ranges(), protocols::backrub::BackrubMover::random_angle(), protocols::backrub::BackrubMover::rotate_segment(), and protocols::backrub::BackrubSidechainMover::update_segments().

◆ end_atoms1()

void protocols::backrub::BackrubSegment::end_atoms1	(	core::pose::Pose const &	pose,
		core::kinematics::tree::AtomCOP &	end_atom_m1,
		core::kinematics::tree::AtomCOP &	end_atom,
		core::kinematics::tree::AtomCOP &	end_atom_p1
	)		const

get mainchain atom tree atoms 1 bond away from the end pivot

References core::kinematics::AtomTree::atom(), core::pose::Pose::atom_tree(), and core::kinematics::tree::Atom::get_self_ptr().

◆ end_atoms2()

void protocols::backrub::BackrubSegment::end_atoms2	(	core::pose::Pose const &	pose,
		core::kinematics::tree::AtomCOP &	end_atom_m2,
		core::kinematics::tree::AtomCOP &	end_atom_m1,
		core::kinematics::tree::AtomCOP &	end_atom,
		core::kinematics::tree::AtomCOP &	end_atom_p1,
		core::kinematics::tree::AtomCOP &	end_atom_p2
	)		const

get mainchain atom tree atoms 2 bonds away from the end pivot

◆ end_bond_angle_key()

protocols::backrub::BackrubSegment::BondAngleKey protocols::backrub::BackrubSegment::end_bond_angle_key ( core::pose::Pose const & pose )

get a key representing the ending mainchain bond angle atoms

References core::id::GLOBAL_BOGUS_ATOM_ID.

◆ max_angle_disp()

core::Real protocols::backrub::BackrubSegment::max_angle_disp ( ) const

inline

get maximum angular displacement

References max_angle_disp_.

◆ size()

core::Size protocols::backrub::BackrubSegment::size ( ) const

inline

get the segment size

References size_.

Referenced by protocols::backrub::BackrubSidechainMover::update_segments().

◆ start_atomid()

core::id::AtomID protocols::backrub::BackrubSegment::start_atomid ( ) const

inline

get AtomID of starting atom

References start_atomid_.

Referenced by protocols::backrub::BackrubSidechainMover::apply(), protocols::backrub::BackrubMover::dof_id_ranges(), protocols::backrub::BackrubMover::random_angle(), protocols::backrub::BackrubMover::rotate_segment(), and protocols::backrub::BackrubSidechainMover::update_segments().

◆ start_atomid1()

core::id::AtomID protocols::backrub::BackrubSegment::start_atomid1 ( ) const

inline

get AtomID of first atom along the path from start to end

References start_atomid1_.

Referenced by protocols::backrub::BackrubMover::dof_id_ranges(), protocols::backrub::BackrubMover::random_angle(), and protocols::backrub::BackrubMover::rotate_segment().

◆ start_atomid2()

core::id::AtomID protocols::backrub::BackrubSegment::start_atomid2 ( ) const

inline

get AtomID of second atom along the path from start to end

References start_atomid2_.

Referenced by protocols::backrub::BackrubMover::dof_id_ranges(), protocols::backrub::BackrubMover::random_angle(), and protocols::backrub::BackrubMover::rotate_segment().

◆ start_atoms1()

void protocols::backrub::BackrubSegment::start_atoms1	(	core::pose::Pose const &	pose,
		core::kinematics::tree::AtomCOP &	start_atom_m1,
		core::kinematics::tree::AtomCOP &	start_atom,
		core::kinematics::tree::AtomCOP &	start_atom_p1
	)		const

get mainchain atom tree atoms 1 bond away from the start pivot

References core::kinematics::AtomTree::atom(), core::pose::Pose::atom_tree(), and core::kinematics::tree::Atom::get_self_ptr().

◆ start_atoms2()

void protocols::backrub::BackrubSegment::start_atoms2	(	core::pose::Pose const &	pose,
		core::kinematics::tree::AtomCOP &	start_atom_m2,
		core::kinematics::tree::AtomCOP &	start_atom_m1,
		core::kinematics::tree::AtomCOP &	start_atom,
		core::kinematics::tree::AtomCOP &	start_atom_p1,
		core::kinematics::tree::AtomCOP &	start_atom_p2
	)		const

get mainchain atom tree atoms 2 bonds away from the start pivot

References core::kinematics::AtomTree::atom(), core::pose::Pose::atom_tree(), and core::kinematics::tree::Atom::get_self_ptr().

◆ start_bond_angle_key()

protocols::backrub::BackrubSegment::BondAngleKey protocols::backrub::BackrubSegment::start_bond_angle_key ( core::pose::Pose const & pose )

get a key representing the starting mainchain bond angle atoms

Member Data Documentation

◆ angle_disp_

core::Real protocols::backrub::BackrubSegment::angle_disp_

private

Referenced by angle_disp().

◆ end_atomid_

core::id::AtomID protocols::backrub::BackrubSegment::end_atomid_

private

Referenced by end_atomid().

◆ max_angle_disp_

core::Real protocols::backrub::BackrubSegment::max_angle_disp_

private

Referenced by max_angle_disp().

◆ size_

core::Size protocols::backrub::BackrubSegment::size_

private

Referenced by size().

◆ start_atomid1_

core::id::AtomID protocols::backrub::BackrubSegment::start_atomid1_

private

Referenced by start_atomid1().

◆ start_atomid2_

core::id::AtomID protocols::backrub::BackrubSegment::start_atomid2_

private

Referenced by start_atomid2().

◆ start_atomid_

core::id::AtomID protocols::backrub::BackrubSegment::start_atomid_

private

Referenced by start_atomid().

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

src/protocols/backrub/BackrubSegment.hh
src/protocols/backrub/BackrubSegment.cc

Public Types

Public Member Functions

Static Public Member Functions

Private Attributes

Detailed Description

Member Typedef Documentation

◆ BondAngleKey

Constructor & Destructor Documentation

◆ BackrubSegment()

Member Function Documentation

◆ angle_disp()

◆ bond_angle_atoms()

◆ end_atomid()

◆ end_atoms1()

◆ end_atoms2()

◆ end_bond_angle_key()

◆ max_angle_disp()

◆ size()

◆ start_atomid()

◆ start_atomid1()

◆ start_atomid2()

◆ start_atoms1()

◆ start_atoms2()

◆ start_bond_angle_key()

Member Data Documentation

◆ angle_disp_

◆ end_atomid_

◆ max_angle_disp_

◆ size_

◆ start_atomid1_

◆ start_atomid2_

◆ start_atomid_