IMP::atom::LennardJones Class Reference

Detailed Description

A decorator for a particle that has a Lennard-Jones potential well.

Such particles must be XYZR particles (they must have a position and a radius) but need not be true atoms.

The well depth should be a non-negative value.

Inheritance diagram for IMP::atom::LennardJones:


Public Member Functions
Float	get_well_depth () const
	LennardJones (::IMP::Particle *p)
void	set_well_depth (Float well_depth)
Static Public Member Functions
static LennardJones	decorate_particle (::IMP::Particle *p)
static FloatKey	get_well_depth_key ()
static bool	particle_is_instance (Particle *p)
	Return true if the particle is an instance of a LennardJones.
static LennardJones	setup_particle (Particle *p, Float well_depth=0)

static LennardJones IMP::atom::LennardJones::setup_particle	(	Particle *	p,
		Float	well_depth = `0`
	)			`[static]`

Create a decorator with the passed well depth. The particle is assumed to already have x,y,z,r attributes.

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