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

#include <CuboidSpawner.h>

Inheritance diagram for CuboidSpawner:

Collaboration diagram for CuboidSpawner:

Public Member Functions
	CuboidSpawner (const std::array< double, 3 > &lower_left_corner, const std::array< int, 3 > &grid_dimensions, 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
	Estimate the number of particles to be spawned. More...

Private Attributes
const std::array< double, 3 >	lower_left_corner
	Defines the lower left corner where the cuboid will be spawned. More...

const std::array< int, 3 >	grid_dimensions
	Defines how big the cuboid will be. Each entry defines the number of particles in the respective direction. More...

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

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

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

double	epsilon
	Defines the Lennard-Jones epsilon parameter of the particles in the cuboid. More...

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

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

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

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

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

Detailed Description

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

Implementation of the particle spawning in a cuboid. It is possible to specify the lower left corner of the cuboid, the grid dimensions, the spacing between neighboring particles, the mass of the particles, the initial velocity of the particles and the type of the particles.

Definition at line 15 of file CuboidSpawner.h.

Constructor & Destructor Documentation

◆ CuboidSpawner()

CuboidSpawner::CuboidSpawner	(	const std::array< double, 3 > &	lower_left_corner,
		const std::array< int, 3 > &	grid_dimensions,
		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

lower_left_corner	Lower left corner of the cuboid
grid_dimensions	Grid dimensions
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	Whether to spawn particles in the third dimension
initial_temperature	Initial 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 CuboidSpawner.cpp.

     : lower_left_corner(lower_left_corner),
       grid_dimensions(grid_dimensions),
       grid_spacing(grid_spacing),
       mass(mass),
       type(type),
       epsilon(epsilon),
       sigma(sigma),
       lock_state(lock_state),
       initial_velocity(initial_velocity),
       third_dimension(third_dimension),
       initial_temperature(initial_temperature) {}

Member Function Documentation

◆ getEstimatedNumberOfParticles()

size_t CuboidSpawner::getEstimatedNumberOfParticles ( ) const

overridevirtual

Estimate the number of particles to be spawned.

returns the number of particles to be spawned by this spawner this can be used to reserve enought memory in the particle container

Implements ParticleSpawner.

Definition at line 40 of file CuboidSpawner.cpp.

                                                           {
     return static_cast<size_t>(grid_dimensions[0]) * grid_dimensions[1] * grid_dimensions[2];
 }

◆ spawnParticles()

int CuboidSpawner::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 CuboidSpawner.cpp.

                                                                       {
     particles.reserve(particles.size() + getEstimatedNumberOfParticles());
     for (int i = 0; i < grid_dimensions[0]; i++) {
         for (int j = 0; j < grid_dimensions[1]; j++) {
             for (int k = 0; k < grid_dimensions[2]; k++) {
                 const auto grid_pos = std::array<double, 3>{static_cast<double>(i), static_cast<double>(j), static_cast<double>(k)};
  
                 const auto x = lower_left_corner + grid_spacing * grid_pos;
  
                 Particle particle(x, initial_velocity, mass, type, epsilon, sigma, lock_state);
                 Thermostat::setParticleTemperature(initial_temperature, particle, third_dimension);
                 particles.push_back(particle);
             }
         }
     }
     return grid_dimensions[0] * grid_dimensions[1] * grid_dimensions[2];
 }

Member Data Documentation

◆ epsilon

double CuboidSpawner::epsilon

private

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

Definition at line 45 of file CuboidSpawner.h.

◆ grid_dimensions

const std::array<int, 3> CuboidSpawner::grid_dimensions

private

Defines how big the cuboid will be. Each entry defines the number of particles in the respective direction.

Definition at line 25 of file CuboidSpawner.h.

◆ grid_spacing

const double CuboidSpawner::grid_spacing

private

Defines the spacing between neighboring particles in the cuboid.

Definition at line 30 of file CuboidSpawner.h.

◆ initial_temperature

const double CuboidSpawner::initial_temperature

private

Defines the initial temperature of the particles in the cuboid.

Definition at line 70 of file CuboidSpawner.h.

◆ initial_velocity

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

private

Defines the initial velocity of the particles in the cuboid.

Definition at line 60 of file CuboidSpawner.h.

◆ lock_state

const LockState CuboidSpawner::lock_state

private

Defines whether the particles in the cuboid are locked.

Definition at line 55 of file CuboidSpawner.h.

◆ lower_left_corner

const std::array<double, 3> CuboidSpawner::lower_left_corner

private

Defines the lower left corner where the cuboid will be spawned.

Definition at line 20 of file CuboidSpawner.h.

◆ mass

const double CuboidSpawner::mass

private

Defines the mass of the particles in the cuboid.

Definition at line 35 of file CuboidSpawner.h.

◆ sigma

double CuboidSpawner::sigma

private

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

Definition at line 50 of file CuboidSpawner.h.

◆ third_dimension

const ThirdDimension CuboidSpawner::third_dimension

private

Defines whether to use the third dimension.

Definition at line 65 of file CuboidSpawner.h.

◆ type

const int CuboidSpawner::type

private

Defines the type of the particles in the cuboid.

Definition at line 40 of file CuboidSpawner.h.

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

Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ CuboidSpawner()

Member Function Documentation

◆ getEstimatedNumberOfParticles()

◆ spawnParticles()

Member Data Documentation

◆ epsilon

◆ grid_dimensions

◆ grid_spacing

◆ initial_temperature

◆ initial_velocity

◆ lock_state

◆ lower_left_corner

◆ mass

◆ sigma

◆ third_dimension

◆ type