core::kinematics::inverse::AlignmentAtom Struct Reference

this class has the duty of logging atoms and their desired positions More...

#include <AlignmentAtom.hh>

Public Member Functions
	AlignmentAtom (core::id::AtomID atomid, numeric::xyzVector< core::Real > const dest_xyz)
	AlignmentAtom ()=default
void	set (core::id::AtomID atomid, numeric::xyzVector< core::Real > const dest_xyz)
void	set (core::id::AtomID atomid, conformation::Conformation const &conf)

Public Attributes
core::id::AtomID	id
numeric::xyzVector< core::Real >	destination_xyz

Detailed Description

this class has the duty of logging atoms and their desired positions

We are using struct instead of class because AlignmentAtom has no invariants

Constructor & Destructor Documentation

AlignmentAtom() [1/2]

core::kinematics::inverse::AlignmentAtom::AlignmentAtom ( core::id::AtomID  atomid, numeric::xyzVector< core::Real > const  dest_xyz  )

inline

AlignmentAtom() [2/2]

core::kinematics::inverse::AlignmentAtom::AlignmentAtom ( )

default

Member Function Documentation

set() [1/2]

void core::kinematics::inverse::AlignmentAtom::set ( core::id::AtomID  atomid, conformation::Conformation const &  conf  )

inline

References set(), and core::conformation::Conformation::xyz().

set() [2/2]

void core::kinematics::inverse::AlignmentAtom::set ( core::id::AtomID  atomid, numeric::xyzVector< core::Real > const  dest_xyz  )

inline

References destination_xyz.

Referenced by set().

Member Data Documentation

destination_xyz

numeric::xyzVector< core::Real > core::kinematics::inverse::AlignmentAtom::destination_xyz

Referenced by set().

id

core::id::AtomID core::kinematics::inverse::AlignmentAtom::id

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

• src/core/kinematics/inverse/AlignmentAtom.hh