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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:
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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().


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