Class to spawn particles in a Sphere. Implements the interface ParticleSpawner. More...

#include <SphereSpawner.h>

Inheritance diagram for SphereSpawner:

Collaboration diagram for SphereSpawner:

Public Member Functions
	SphereSpawner (const std::array< double, 3 > &center, int sphere_radius, double grid_spacing, double mass, const std::array< double, 3 > &initial_velocity, int type, double epsilon=1.0, double sigma=1.2, LockState lock_state=LockState::UNLOCKED, ThirdDimension third_dimension=ThirdDimension::ENABLED, double initial_temperature=0.1)
	Constructor. More...

int	spawnParticles (std::vector< Particle > &particles) const override
	Spawns particles in the given container. More...

size_t	getEstimatedNumberOfParticles () const override
	Returns the number of particles to be spawned. More...

Private Attributes
const std::array< double, 3 >	center
	Defines the center of the sphere. More...

const int	sphere_radius
	Defines the radius of the sphere. More...

const double	grid_spacing
	Defines the spacing between neighboring particles in the sphere. More...

const double	mass
	Defines the mass of the particles in the sphere. More...

const int	type
	Defines the type of the particles in the sphere. More...

const double	espilon
	Defines the Lennard-Jones epsilon parameter of the particles in the sphere. More...

const double	sigma
	Defines the Lennard-Jones sigma parameter of the particles in the sphere. More...

const LockState	lock_state
	Defines whether the particles in the sphere are locked. More...

const std::array< double, 3 >	initial_velocity
	Defines the initial velocity of the particles in the sphere. More...

const double	initial_temperature
	Defines the initial temperature of the particles in the sphere. More...

const ThirdDimension	third_dimension
	Defines whether to use the third dimension. More...

Detailed Description

Class to spawn particles in a Sphere. Implements the interface ParticleSpawner.

Implementation of the particle spawning in a cuboid. It is possible to specify the center of the sphere, the radius of the sphere, the spacing between neighboring particles, the mass of the particles, the initial velocity of the particles and the type of the particles.

The radius is given in terms of number of particles along the radius.

Definition at line 15 of file SphereSpawner.h.

Constructor & Destructor Documentation

◆ SphereSpawner()

SphereSpawner::SphereSpawner	(	const std::array< double, 3 > &	center,
		int	sphere_radius,
		double	grid_spacing,
		double	mass,
		const std::array< double, 3 > &	initial_velocity,
		int	type,
		double	epsilon = `1.0`,
		double	sigma = `1.2`,
		LockState	lock_state = `LockState::UNLOCKED`,
		ThirdDimension	third_dimension = `ThirdDimension::ENABLED`,
		double	initial_temperature = `0.1`
	)

Constructor.

Parameters

center	Center of the sphere
sphere_radius	Radius of the sphere [number of particles along the radius]
grid_spacing	Spacing between neighboring particles
mass	Mass of the particles
initial_velocity	Initial velocity of the particles, the velocity is then jittered by a Maxwell-Boltzmann distribution
type	Type of the particles in the cuboid
epsilon	Lennard-Jones epsilon parameter of the particles in the cuboid
sigma	Lennard-Jones sigma parameter of the particles in the cuboid
lock_state	Whether the particles in the cuboid are locked
third_dimension	Number of dimensions of the sphere
initial_temperature	Inital temperature of the particles

Constructor to initialize the cuboid spawner. The velocity of the particles is jittered by a Maxwell-Boltzmann distribution.

Definition at line 7 of file SphereSpawner.cpp.

     : center(center),
       sphere_radius(sphere_radius),
       grid_spacing(grid_spacing),
       mass(mass),
       type(type),
       espilon(epsilon),
       sigma(sigma),
       lock_state(lock_state),
       initial_velocity(initial_velocity),
       initial_temperature(initial_temperature),
       third_dimension(third_dimension) {}

Member Function Documentation

◆ getEstimatedNumberOfParticles()

size_t SphereSpawner::getEstimatedNumberOfParticles ( ) const

overridevirtual

Returns the number of particles to be spawned.

Returns: Number of particles to be spawned

Returns the number of particles to be spawned.

Implements ParticleSpawner.

Definition at line 49 of file SphereSpawner.cpp.

49 { return static_cast<size_t>(4.0 / 3.0 * M_PI * std::pow(sphere_radius, 3)); }

◆ spawnParticles()

int SphereSpawner::spawnParticles ( std::vector< Particle > & particles ) const

overridevirtual

Spawns particles in the given container.

Parameters

particles A vector of particles to spawn

Returns: Number of particles spawned Spawns particles in the given container.

Implements ParticleSpawner.

Definition at line 22 of file SphereSpawner.cpp.

                                                                       {
     particles.reserve(particles.size() + getEstimatedNumberOfParticles());
     int num_particles_spawned = 0;
     for (int x = -sphere_radius; x <= sphere_radius; x++) {
         for (int y = -sphere_radius; y <= sphere_radius; y++) {
             for (int z = -sphere_radius; z <= sphere_radius; z++) {
                 if (third_dimension == ThirdDimension::DISABLED && z != 0) {
                     continue;
                 }
  
                 const auto displacement = std::array<double, 3>{x * grid_spacing, y * grid_spacing, z * grid_spacing};
                 const double dist = ArrayUtils::L2Norm(displacement);
  
                 if (dist <= sphere_radius * grid_spacing) {
                     const auto position = center + displacement;
                     Particle particle(position, initial_velocity, mass, type, espilon, sigma, lock_state);
                     Thermostat::setParticleTemperature(initial_temperature, particle, third_dimension);
  
                     particles.push_back(std::move(particle));
                     num_particles_spawned++;
                 }
             }
         }
     }
     return num_particles_spawned;
 }

Member Data Documentation

◆ center

const std::array<double, 3> SphereSpawner::center

private

Defines the center of the sphere.

Definition at line 20 of file SphereSpawner.h.

◆ espilon

const double SphereSpawner::espilon

private

Defines the Lennard-Jones epsilon parameter of the particles in the sphere.

Definition at line 45 of file SphereSpawner.h.

◆ grid_spacing

const double SphereSpawner::grid_spacing

private

Defines the spacing between neighboring particles in the sphere.

Definition at line 30 of file SphereSpawner.h.

◆ initial_temperature

const double SphereSpawner::initial_temperature

private

Defines the initial temperature of the particles in the sphere.

Definition at line 65 of file SphereSpawner.h.

◆ initial_velocity

const std::array<double, 3> SphereSpawner::initial_velocity

private

Defines the initial velocity of the particles in the sphere.

Definition at line 60 of file SphereSpawner.h.

◆ lock_state

const LockState SphereSpawner::lock_state

private

Defines whether the particles in the sphere are locked.

Definition at line 55 of file SphereSpawner.h.

◆ mass

const double SphereSpawner::mass

private

Defines the mass of the particles in the sphere.

Definition at line 35 of file SphereSpawner.h.

◆ sigma

const double SphereSpawner::sigma

private

Defines the Lennard-Jones sigma parameter of the particles in the sphere.

Definition at line 50 of file SphereSpawner.h.

◆ sphere_radius

const int SphereSpawner::sphere_radius

private

Defines the radius of the sphere.

Definition at line 25 of file SphereSpawner.h.

◆ third_dimension

const ThirdDimension SphereSpawner::third_dimension

private

Defines whether to use the third dimension.

Definition at line 70 of file SphereSpawner.h.

◆ type

const int SphereSpawner::type

private

Defines the type of the particles in the sphere.

Definition at line 40 of file SphereSpawner.h.

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

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ SphereSpawner()

Member Function Documentation

◆ getEstimatedNumberOfParticles()

◆ spawnParticles()

Member Data Documentation

◆ center

◆ espilon

◆ grid_spacing

◆ initial_temperature

◆ initial_velocity

◆ lock_state

◆ mass

◆ sigma

◆ sphere_radius

◆ third_dimension

◆ type