Faunus::Particle Class Reference

Particle class for storing positions, id, and other properties. More...

#include <particle.h>

Public Types
using	ParticleExtension = ParticleTemplate< Dipole, Quadrupole, Cigar >

Public Member Functions
	Particle (const AtomData &a, const Point &pos)
	Particle (const AtomData &a)
	construct from AtomData More...
	Particle (const Particle &)
	copy constructor
Particle &	operator= (const Particle &)
	assignment operator
const AtomData &	traits () const
	get properties from AtomData
void	rotate (const Eigen::Quaterniond &quaternion, const Eigen::Matrix3d &rotation_matrix)
	internal rotation More...
bool	hasExtension () const
	check if particle has extensions (dipole etc.)
ParticleExtension &	createExtension ()
	Create extension.
ParticleExtension &	getExt ()
	get/create extension
const ParticleExtension &	getExt () const
	Get extended particle properties;.

Public Attributes
std::unique_ptr< ParticleExtension >	ext
	Point to extended properties.
int	id = -1
	Particle id/type.
double	charge = 0.0
	Particle charge.
Point	pos = {0.0, 0.0, 0.0}
	Particle position vector.

Detailed Description

Particle class for storing positions, id, and other properties.

Particles carry id, pos, charge by default but can have additional or extended data stored using a different memory model. When serializing from a json object, extended properties are automatically detected and memory is automatically allocated

Todo:

: memory model for extended properties not optimal

Constructor & Destructor Documentation

Particle()

Faunus::Particle::Particle

(

const AtomData &

atomdata

)

construct from AtomData

Warning

Performance is sub-optimal as conversion is done through a json object

Member Function Documentation

rotate()

void Faunus::Particle::rotate	(	const Eigen::Quaterniond &	quaternion,
		const Eigen::Matrix3d &	rotation_matrix
	)

internal rotation

Parameters

quaternion	Quaternion used to rotate points
rotation_matrix	Rotation matrix used to rotate tensors

Todo:

Only one of the above should be enough

This has effect only on anisotropic particles and does no positional rotation, only internal rotation

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

• src/particle.h
• src/particle.cpp