Class for generating various particle structures. Currently only cuboids are supported. More...

#include <ParticleGenerator.h>

Collaboration diagram for ParticleGenerator:

Static Public Member Functions
static void	generateCuboid (ParticleContainer &particles, const std::array< double, 3 > &position, unsigned N1, unsigned N2, unsigned N3, double h, double mass, const std::array< double, 3 > &initVelocity, int dimensions, double brownianMotionAverageVelocity, double epsilon=5, double sigma=1, bool fixed=false)
	Generate a cuboid structure. More...

static void	generateDisc (ParticleContainer &particles, const std::array< double, 3 > &center, const std::array< double, 3 > &initVelocity, int N, double h, double mass, int dimensions, double brownianMotionAverageVelocity, double epsilon=5, double sigma=1, bool fixed=false)
	Generate a 2D disc structure. More...

static void	generateSphere (ParticleContainer &particles, const std::array< double, 3 > &center, const std::array< double, 3 > &initVelocity, int N, double h, double mass, int dimensions, double brownianMotionAverageVelocity, double epsilon, double sigma, bool fixed=false)
	Generate a 3D sphere structure. More...

static void	generateMembrane (ParticleContainer &particles, const std::array< double, 3 > &position, unsigned N1, unsigned N2, double h, double mass, const std::array< double, 3 > &initVelocity, bool isMarked(unsigned, unsigned), double epsilon=5, double sigma=1)
	Generate a 2D membrane. More...

Static Private Member Functions
static void	generateDiscQuadrant (ParticleContainer &particles, const std::array< double, 3 > &corner, const std::array< double, 3 > &initVelocity, double h, double mass, int N, double r, int dimensions, double brownianMotionAverageVelocity, std::array< int, 4 > transformMatrix, double epsilon=5, double sigma=1, bool fixed=false)
	Helper method to generate one of four quadrants of an 2-dimensional disc structure. More...

Static Private Attributes
static int	id = 1

Detailed Description

Class for generating various particle structures. Currently only cuboids are supported.

Member Function Documentation

◆ generateCuboid()

void ParticleGenerator::generateCuboid	(	ParticleContainer &	particles,
		const std::array< double, 3 > &	position,
		unsigned	N1,
		unsigned	N2,
		unsigned	N3,
		double	h,
		double	mass,
		const std::array< double, 3 > &	initVelocity,
		int	dimensions,
		double	brownianMotionAverageVelocity,
		double	epsilon = `5`,
		double	sigma = `1`,
		bool	fixed = `false`
	)

static

Generate a cuboid structure.

Parameters

particles	Particle container to which the particle structure is added.
position	The coordinates of the lower left front-side corner.
N1	Number of particles in dimension N1.
N2	Number of particles in dimension N2.
N3	Number of particles in dimension N3.
h	Distance of the particles (mesh width of the grid).
mass	Mass of one particle.
initVelocity	Initial velocity of the particles.
dimensions	Specify in how many dimensions the Brownian Motion is applied. Valid values are 0, 1, 2, 3
brownianMotionAverageVelocity	Constant, specifying the average velocity of the Brownian Motion.
epsilon	Lennard Jones force parameter epsilon.
sigma	Lennard Jones force parameter sigma.
fixed	Fix particles.

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◆ generateDisc()

void ParticleGenerator::generateDisc	(	ParticleContainer &	particles,
		const std::array< double, 3 > &	center,
		const std::array< double, 3 > &	initVelocity,
		int	N,
		double	h,
		double	mass,
		int	dimensions,
		double	brownianMotionAverageVelocity,
		double	epsilon = `5`,
		double	sigma = `1`,
		bool	fixed = `false`
	)

static

Generate a 2D disc structure.

Parameters

particles	Particle container to which the particle structure is added.
center	The coordinates of the center of the disc.
initVelocity	Initial velocity of the particles.
N	Number of particles along the radius, including the particle in the center.
h	Distance of the particles (mesh width of the grid).
mass	Mass of one particle.
dimensions	Specify in how many dimensions the Brownian Motion is applied. Valid values are 0, 1, 2, 3
brownianMotionAverageVelocity	Constant, specifying the average velocity of the Brownian Motion.
epsilon	Lennard Jones force parameter epsilon.
sigma	Lennard Jones force parameter sigma.
fixed	Fix particles.

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◆ generateDiscQuadrant()

void ParticleGenerator::generateDiscQuadrant	(	ParticleContainer &	particles,
		const std::array< double, 3 > &	corner,
		const std::array< double, 3 > &	initVelocity,
		double	h,
		double	mass,
		int	N,
		double	r,
		int	dimensions,
		double	brownianMotionAverageVelocity,
		std::array< int, 4 >	transformMatrix,
		double	epsilon = `5`,
		double	sigma = `1`,
		bool	fixed = `false`
	)

staticprivate

Helper method to generate one of four quadrants of an 2-dimensional disc structure.

Parameters

particles	Particle container to which the particle structure is added.
corner	The coordinates of the corner of the quadrant.
initVelocity	Initial velocity of the particles.
h	Distance of the particles (mesh width of the grid).
mass	Mass of one particle.
N	Number of particles along the radius, including the particle in the center.
r	Length of the radius of the circle
dimensions	Specify in how many dimensions the Brownian Motion is applied. Valid values are 0, 1, 2, 3
brownianMotionAverageVelocity	Constant, specifying the average velocity of the Brownian Motion.
transformMatrix	Consists of four parameters: [0]: main axis d1 (0 for x-axis, 1 for y-axis) [1]: support axis d2 (0 for x-axis, 1 for y-axis) [2]: direction along main axis d1 (0 for positive, 1 for negative) [3]: direction along support axis d2 (0 for positive, 1 for negative)
epsilon	Lennard Jones force parameter epsilon.
sigma	Lennard Jones force parameter sigma.
fixed	Fix particles.

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◆ generateMembrane()

void ParticleGenerator::generateMembrane	(	ParticleContainer &	particles,
		const std::array< double, 3 > &	position,
		unsigned	N1,
		unsigned	N2,
		double	h,
		double	mass,
		const std::array< double, 3 > &	initVelocity,
		bool	isMarkedunsigned, unsigned,
		double	epsilon = `5`,
		double	sigma = `1`
	)

static

Generate a 2D membrane.

Parameters

particles	Particle container to which the membrane is added.
position	The coordinates of the lower left corner.
N1	Number of particles along the x-axis.
N2	Number of particles along the y-axis.
h	Distance between the particles (mesh width of the membrane).
mass	Mass of one particle.
initVelocity	Initial velocity of the particles.
isMarked	Function that determines, if a particle should be marked.
epsilon	Lennard Jones force parameter epsilon.
sigma	Lennard Jones force parameter sigma.

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◆ generateSphere()

void ParticleGenerator::generateSphere	(	ParticleContainer &	particles,
		const std::array< double, 3 > &	center,
		const std::array< double, 3 > &	initVelocity,
		int	N,
		double	h,
		double	mass,
		int	dimensions,
		double	brownianMotionAverageVelocity,
		double	epsilon,
		double	sigma,
		bool	fixed = `false`
	)

static

Generate a 3D sphere structure.

Parameters

particles	Particle container to which the particle structure is added.
center	The coordinates of the center of the sphere.
initVelocity	Initial velocity of the the particles.
N	Number of particles along the radius, including the particle in the center.
h	Distance of the particles (mesh width of the grid).
mass	Mass of one particle.
dimensions	Specify in how many dimensions the Brownian Motion is applied. Valid values are 0, 1, 2, 3
brownianMotionAverageVelocity	Constant, specifying the average velocity of the Brownian Motion.
epsilon	Lennard Jones force parameter epsilon.
sigma	Lennard Jones force parameter sigma.
fixed	Fix particles.

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Member Data Documentation

◆ id

int ParticleGenerator::id = 1

staticprivate

All particles being part of the same structure will be assigned the same id. This id is incremented by one for each structure that is created.

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

/home/runner/work/MolSim/MolSim/src/moleculeSimulator/particleGeneration/ParticleGenerator.h
/home/runner/work/MolSim/MolSim/src/moleculeSimulator/particleGeneration/ParticleGenerator.cpp

Static Public Member Functions

Static Private Member Functions

Static Private Attributes

Detailed Description

Member Function Documentation

◆ generateCuboid()

◆ generateDisc()

◆ generateDiscQuadrant()

◆ generateMembrane()

◆ generateSphere()

Member Data Documentation

◆ id