Inserts molecules into random positions in the container. More...

#include <molecule.h>

Inheritance diagram for Faunus::RandomInserter:

Collaboration diagram for Faunus::RandomInserter:

Public Member Functions
ParticleVector	operator() (const Geometry::GeometryBase &geo, MoleculeData &molecule, const ParticleVector &ignored_other_particles=ParticleVector()) override

void	from_json (const json &j) override

void	to_json (json &j) const override

Public Attributes
Point	dir = {1, 1, 1}
	Scalars for random mass center position. Default (1,1,1)

Point	offset = {0, 0, 0}
	Added to random position. Default (0,0,0)

bool	rotate = true
	Set to true to randomly rotate molecule when inserted. Default: true.

bool	keep_positions = false
	Set to true to keep original positions (default: false)

bool	allow_overlap = false
	Set to true to skip container overlap check.

int	max_trials = 20'000
	Maximum number of container overlap checks.

Detailed Description

Inserts molecules into random positions in the container.

Member Function Documentation

ParticleVector Faunus::RandomInserter::operator()	(	const Geometry::GeometryBase &	geo,
		MoleculeData &	molecule,
		const ParticleVector &	ignored_other_particles = `ParticleVector()`
	)

overridevirtual

Parameters

geo	Geometry to use for PBC and container overlap check
molecule	Molecular type to insert
ignored_other_particles	Other particles in the system (ignored for this inserter!)

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