Class to represent a particle. More...

#include <Particle.h>

Collaboration diagram for Particle:

Public Member Functions
	Particle (const Particle &other)

	Particle (std::array< double, 3 > x_arg, std::array< double, 3 > v_arg, double m_arg, int type=0, double epsilon_arg=1.0, double sigma_arg=1.2, LockState lock_state=LockState::UNLOCKED)

	Particle (std::array< double, 3 > x_arg, std::array< double, 3 > v_arg, std::array< double, 3 > f_arg, std::array< double, 3 > old_f_arg, double m_arg, int type=0, double epsilon_arg=1.0, double sigma_arg=1.2, LockState lock_state=LockState::UNLOCKED)

virtual	~Particle ()

Particle &	operator= (const Particle &other)

void	setX (const std::array< double, 3 > &x)
	Sets the position of the particle. More...

void	setV (const std::array< double, 3 > &v)
	Sets the velocity of the particle. More...

void	setF (const std::array< double, 3 > &f)
	Sets the force of the particle. More...

void	addF (const std::array< double, 3 > &force)
	Adds a force to the particle. More...

void	subF (const std::array< double, 3 > &force)
	Subtracts a force from the particle. More...

void	setOldF (const std::array< double, 3 > &oldF)
	Sets the old force of the particle. More...

const std::array< double, 3 > &	getX () const
	Gets the position of the particle. More...

const std::array< double, 3 > &	getV () const
	Gets the velocity of the particle. More...

const std::array< double, 3 > &	getF () const
	Gets the total force of the particle. More...

const std::array< double, 3 > &	getOldF () const
	Gets the old total force of the particle. More...

double	getM () const
	Gets the mass of the particle. More...

int	getType () const
	Gets the type of the particle. More...

double	getEpsilon () const
	Gets the Lennard-Jones potential parameter epsilon. More...

double	getSigma () const
	Gets the Lennard-Jones potential parameter sigma. More...

void	setLocked (LockState new_lock_state)
	Set wheter the particle is locked in space. More...

bool	isLocked () const
	Gets whether the particle is locked in space. More...

const std::vector< std::tuple< long, double, double > > &	getConnectedParticles () const
	Gets the list of connected particles. More...

void	addConnectedParticle (long ptr_diff, double l_0, double k)
	Adds a connected particle. More...

bool	operator== (Particle &other)

bool	operator== (const Particle &other) const

std::string	toString () const

Private Attributes
std::array< double, 3 >	x {}
	Position of the particle. More...

std::array< double, 3 >	v {}
	Velocity of the particle. More...

std::array< double, 3 >	f {}
	Force effective on this particle. More...

std::array< double, 3 >	old_f {}
	Force which was effective on this particle. More...

double	m
	Mass of this particle. More...

int	type
	Type of the particle. Use it for whatever you want (e.g. to separate molecules belonging to different bodies, matters, and so on) More...

double	epsilon
	Lennard-Jones potential parameter epsilon. More...

double	sigma
	Lennard-Jones potential parameter sigma. More...

LockState	lock_state
	Wheter the particle is loccked in space. More...

std::vector< std::tuple< long, double, double > >	connected_particles
	List of connected particles. More...

Detailed Description

Class to represent a particle.

Particle.h

Created on: 23.02.2010 Author: eckhardw

Class to represent a particle. A particle has a position, a velocity, a mass and a type. Additionally, the current and previous force exerted on the particle is stored.

Definition at line 26 of file Particle.h.

Constructor & Destructor Documentation

◆ Particle() [1/3]

Particle::Particle ( const Particle & other )

Particle.cpp

Created on: 23.02.2010 Author: eckhardw

Definition at line 15 of file Particle.cpp.

                                         {
     x = other.x;
     v = other.v;
     f = other.f;
     old_f = other.old_f;
     m = other.m;
     type = other.type;
     epsilon = other.epsilon;
     sigma = other.sigma;
     lock_state = other.lock_state;
     connected_particles = other.connected_particles;
     Logger::logger->debug("Particle created");
 }

◆ Particle() [2/3]

Particle::Particle	(	std::array< double, 3 >	x_arg,
		std::array< double, 3 >	v_arg,
		double	m_arg,
		int	type = `0`,
		double	epsilon_arg = `1.0`,
		double	sigma_arg = `1.2`,
		LockState	lock_state = `LockState::UNLOCKED`
	)

Definition at line 29 of file Particle.cpp.

                                                                {
     x = x_arg;
     v = v_arg;
     m = m_arg;
     type = type_arg;
     f = {0., 0., 0.};
     epsilon = epsilon_arg;
     sigma = sigma_arg;
     lock_state = lock_state_arg;
     old_f = {0., 0., 0.};
     Logger::logger->debug("Particle created");
 }

◆ Particle() [3/3]

Particle::Particle	(	std::array< double, 3 >	x_arg,
		std::array< double, 3 >	v_arg,
		std::array< double, 3 >	f_arg,
		std::array< double, 3 >	old_f_arg,
		double	m_arg,
		int	type = `0`,
		double	epsilon_arg = `1.0`,
		double	sigma_arg = `1.2`,
		LockState	lock_state = `LockState::UNLOCKED`
	)

Definition at line 43 of file Particle.cpp.

                                                                                                                {
     x = x_arg;
     v = v_arg;
     f = f_arg;
     old_f = old_f_arg;
     m = m_arg;
     type = type_arg;
     epsilon = epsilon_arg;
     sigma = sigma_arg;
     lock_state = lock_state_arg;
     Logger::logger->debug("Particle created");
 }

◆ ~Particle()

Particle::~Particle ( )

virtual

Definition at line 57 of file Particle.cpp.

57 { Logger::logger->debug("Particle destroyed"); }

Member Function Documentation

◆ addConnectedParticle()

void Particle::addConnectedParticle	(	long	ptr_diff,
		double	l_0,
		double	k
	)

Adds a connected particle.

Parameters

ptr_diff
l_0	Prefered distance between the particles
k	Spring constant

Definition at line 74 of file Particle.cpp.

74 { connected_particles.push_back({ptr_diff, l_0, k}); }

◆ addF()

void Particle::addF ( const std::array< double, 3 > & force )

inline

Adds a force to the particle.

Parameters

force Force to be added

Definition at line 129 of file Particle.h.

                                                        {
 #if PARALLEL_V2
         std::lock_guard lock(mutex_f);
 #endif
         f = f + force;
     }

◆ getConnectedParticles()

const std::vector<std::tuple<long, double, double> >& Particle::getConnectedParticles ( ) const

inline

Gets the list of connected particles.

Definition at line 207 of file Particle.h.

207 { return connected_particles; }

◆ getEpsilon()

double Particle::getEpsilon ( ) const

inline

Gets the Lennard-Jones potential parameter epsilon.

Definition at line 187 of file Particle.h.

187 { return epsilon; }

◆ getF()

const std::array<double, 3>& Particle::getF ( ) const

inline

Gets the total force of the particle.

Definition at line 167 of file Particle.h.

167 { return f; }

◆ getM()

double Particle::getM ( ) const

inline

Gets the mass of the particle.

Definition at line 177 of file Particle.h.

177 { return m; }

◆ getOldF()

const std::array<double, 3>& Particle::getOldF ( ) const

inline

Gets the old total force of the particle.

Definition at line 172 of file Particle.h.

172 { return old_f; }

◆ getSigma()

double Particle::getSigma ( ) const

inline

Gets the Lennard-Jones potential parameter sigma.

Definition at line 192 of file Particle.h.

192 { return sigma; }

◆ getType()

int Particle::getType ( ) const

inline

Gets the type of the particle.

Definition at line 182 of file Particle.h.

182 { return type; }

◆ getV()

const std::array<double, 3>& Particle::getV ( ) const

inline

Gets the velocity of the particle.

Definition at line 162 of file Particle.h.

162 { return v; }

◆ getX()

const std::array<double, 3>& Particle::getX ( ) const

inline

Gets the position of the particle.

Definition at line 157 of file Particle.h.

157 { return x; }

◆ isLocked()

bool Particle::isLocked ( ) const

inline

Gets whether the particle is locked in space.

Definition at line 202 of file Particle.h.

202 { return lock_state == LockState::LOCKED; }

LockState::LOCKED

@ LOCKED

◆ operator=()

Particle & Particle::operator= ( const Particle & other )

Definition at line 59 of file Particle.cpp.

                                                    {
     x = other.x;
     v = other.v;
     f = other.f;
     old_f = other.old_f;
     m = other.m;
     type = other.type;
     epsilon = other.epsilon;
     sigma = other.sigma;
     lock_state = other.lock_state;
     connected_particles = other.connected_particles;
     Logger::logger->debug("Particle created");
     return *this;
 }

◆ operator==() [1/2]

bool Particle::operator== ( const Particle & other ) const

Definition at line 86 of file Particle.cpp.

                                                      {
     return (x == other.x) and (v == other.v) and (f == other.f) and (type == other.type) and (m == other.m) and (old_f == other.old_f);
 }

◆ operator==() [2/2]

bool Particle::operator== ( Particle & other )

Definition at line 82 of file Particle.cpp.

                                          {
     return (x == other.x) and (v == other.v) and (f == other.f) and (type == other.type) and (m == other.m) and (old_f == other.old_f);
 }

◆ setF()

void Particle::setF ( const std::array< double, 3 > & f )

inline

Sets the force of the particle.

Parameters

f New force

Definition at line 123 of file Particle.h.

123 { this->f = f; }

◆ setLocked()

void Particle::setLocked ( LockState new_lock_state )

inline

Set wheter the particle is locked in space.

Definition at line 197 of file Particle.h.

197 { lock_state = new_lock_state; }

◆ setOldF()

void Particle::setOldF ( const std::array< double, 3 > & oldF )

inline

Sets the old force of the particle.

Parameters

oldF	New old force

Definition at line 152 of file Particle.h.

152 { old_f = oldF; }

◆ setV()

void Particle::setV ( const std::array< double, 3 > & v )

inline

Sets the velocity of the particle.

Parameters

v	New velocity

Definition at line 116 of file Particle.h.

116 { this->v = v; }

◆ setX()

void Particle::setX ( const std::array< double, 3 > & x )

inline

Sets the position of the particle.

Parameters

x	New position

Definition at line 109 of file Particle.h.

109 { this->x = x; }

◆ subF()

void Particle::subF ( const std::array< double, 3 > & force )

inline

Subtracts a force from the particle.

Parameters

force Force to be subtracted

Definition at line 140 of file Particle.h.

                                                        {
 #if PARALLEL_V2
         std::lock_guard lock(mutex_f);
 #endif
         f = f - force;
     }

◆ toString()

std::string Particle::toString ( ) const

Definition at line 76 of file Particle.cpp.

                                    {
     std::stringstream stream;
     stream << "Particle: X:" << x << " v: " << v << " f: " << f << " old_f: " << old_f << " type: " << type;
     return stream.str();
 }

Member Data Documentation

◆ connected_particles

std::vector<std::tuple<long, double, double> > Particle::connected_particles

private

List of connected particles.

List of connected particles. Each entry is a tuple of a weak pointer to the connected particle, and the prefered distance between the the particles and the spring constant. The prefered distance is the distance at which the spring force is zero.

entry = (ptr_diff, l_0, k)

Definition at line 89 of file Particle.h.

◆ epsilon

double Particle::epsilon

private

Lennard-Jones potential parameter epsilon.

Definition at line 62 of file Particle.h.

◆ f

std::array<double, 3> Particle::f {}

private

Force effective on this particle.

Definition at line 41 of file Particle.h.

◆ lock_state

LockState Particle::lock_state

private

Wheter the particle is loccked in space.

Definition at line 72 of file Particle.h.

◆ m

double Particle::m

private

Mass of this particle.

Definition at line 51 of file Particle.h.

◆ old_f

std::array<double, 3> Particle::old_f {}

private

Force which was effective on this particle.

Definition at line 46 of file Particle.h.

◆ sigma

double Particle::sigma

private

Lennard-Jones potential parameter sigma.

Definition at line 67 of file Particle.h.

◆ type

int Particle::type

private

Type of the particle. Use it for whatever you want (e.g. to separate molecules belonging to different bodies, matters, and so on)

Definition at line 57 of file Particle.h.

◆ v

std::array<double, 3> Particle::v {}

private

Velocity of the particle.

Definition at line 36 of file Particle.h.

◆ x

std::array<double, 3> Particle::x {}

private

Position of the particle.

Definition at line 31 of file Particle.h.

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

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ Particle() [1/3]

◆ Particle() [2/3]

◆ Particle() [3/3]

◆ ~Particle()

Member Function Documentation

◆ addConnectedParticle()

◆ addF()

◆ getConnectedParticles()

◆ getEpsilon()

◆ getF()

◆ getM()

◆ getOldF()

◆ getSigma()

◆ getType()

◆ getV()

◆ getX()

◆ isLocked()

◆ operator=()

◆ operator==() [1/2]

◆ operator==() [2/2]

◆ setF()

◆ setLocked()

◆ setOldF()

◆ setV()

◆ setX()

◆ subF()

◆ toString()

Member Data Documentation

◆ connected_particles

◆ epsilon

◆ f

◆ lock_state

◆ m

◆ old_f

◆ sigma

◆ type

◆ v

◆ x