core::kinematics::jacobian::JacobianStructure Class Reference

The JacobianStructure class is the upper-level wrapper of the Jacobian analysis of a protein's kinematics relations. More...

#include <JacobianStructure.hh>

Inheritance diagram for core::kinematics::jacobian::JacobianStructure:

Public Member Functions
	JacobianStructure ()=delete
	No default constructor because JacobianStructure is currently not used on its own, but always as part of a mover. More...
	JacobianStructure (core::conformation::Conformation const &conformation, utility::vector1< core::Size > const &free_residues, core::id::AtomID const &ref_atom)
	Constructor based on single chain of free residues. More...
	JacobianStructure (JacobianStructure const &src)
	Copy constructor. More...
	~JacobianStructure () override
	Destructor. More...
JacobianStructureOP	clone () const
	Clone operation: make a copy of this object, and return an owning pointer to the copy. More...
core::kinematics::jacobian::SeriesJacobiansOP const	get_single_chain (core::Size index)
	get one serial chain of the structure More...

Private Attributes
utility::vector1 < core::kinematics::jacobian::SeriesJacobiansOP >	serial_chains_
	vector with Jacobian serial chains More...
core::id::AtomID	ref_atom_
	atomID of the atom whose reference frame acts is reference frame for all vectors in the Jacobian structure More...

Detailed Description

The JacobianStructure class is the upper-level wrapper of the Jacobian analysis of a protein's kinematics relations.

Author

teunhoevenaars (teunh.nosp@m.oeve.nosp@m.naars.nosp@m.@gma.nosp@m.il.co.nosp@m.m)

Constructor & Destructor Documentation

core::kinematics::jacobian::JacobianStructure::JacobianStructure ( )

delete

No default constructor because JacobianStructure is currently not used on its own, but always as part of a mover.

core::kinematics::jacobian::JacobianStructure::JacobianStructure	(	core::conformation::Conformation const &	conformation,
		utility::vector1< core::Size > const &	free_residues,
		core::id::AtomID const &	ref_atom
	)

Constructor based on single chain of free residues.

In case of single serial chain atoms (provided as a residue series) the upper-level structure of a Jacobian analysis is trivial, because it contains only one element.

References ref_atom_, and serial_chains_.

core::kinematics::jacobian::JacobianStructure::JacobianStructure ( JacobianStructure const &  src )

default

Copy constructor.

Copy constructor. Keep default unless deep copying is needed (and in that case, consider using DeepCopyOPs.)

core::kinematics::jacobian::JacobianStructure::~JacobianStructure ( )

override

Destructor.

Member Function Documentation

JacobianStructureOP core::kinematics::jacobian::JacobianStructure::clone

(

)

const

Clone operation: make a copy of this object, and return an owning pointer to the copy.

core::kinematics::jacobian::SeriesJacobiansOP const core::kinematics::jacobian::JacobianStructure::get_single_chain ( core::Size  index )

inline

get one serial chain of the structure

References serial_chains_.

Member Data Documentation

core::id::AtomID core::kinematics::jacobian::JacobianStructure::ref_atom_

private

atomID of the atom whose reference frame acts is reference frame for all vectors in the Jacobian structure

Referenced by JacobianStructure().

utility::vector1< core::kinematics::jacobian::SeriesJacobiansOP > core::kinematics::jacobian::JacobianStructure::serial_chains_

private

vector with Jacobian serial chains

Referenced by get_single_chain(), and JacobianStructure().

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

• src/core/kinematics/jacobian/JacobianStructure.hh
• src/core/kinematics/jacobian/JacobianStructure.cc