Detailed Description

A decorator for a particle representing an atom.

Atoms always are Mass particles.

Inheritance diagram for IMP::atom::Atom:

Public Member Functions
	Atom (Model *m, ParticleIndex id)
	Atom (::IMP::Particle *p)
AtomType	get_atom_type () const
Element	get_element () const
	get element
double	get_occupancy () const
Particle *	get_particle () const
double	get_temperature_factor () const
void	set_atom_type (AtomType t)
	Set the name and corresponding element and mass.
void	set_occupancy (double occupancy)
void	set_temperature_factor (double tempFactor)
Static Public Member Functions
static Atom	decorate_particle (::IMP::Particle *p)
static bool	particle_is_instance (Particle *p)
	return true if the particle has the needed attributes
static Atom	setup_particle (Particle *p, AtomType t)
static Atom	setup_particle (Particle *p, Atom o)
The atom index in the input file
This index is not necessarily unique over any particular set of atoms and so should never be used as an atom identifier except during I/O.
Int	get_input_index () const
void	set_input_index (Int t)
Keys
These methods provide access to the various keys used to store things in the Atom. These can be used if you want to use an attribute to search a set of particles.
static IntKey	get_atom_type_key ()
static IntKey	get_element_key ()
static IntKey	get_input_index_key ()
static FloatKey	get_occupancy_key ()
static FloatKey	get_temperature_factor_key ()

Member Function Documentation

Element IMP::atom::Atom::get_element ( ) const

get element

Particle* IMP::atom::Atom::get_particle ( ) const

Returns the particle decorated by this decorator.

Reimplemented from IMP::Decorator.

static bool IMP::atom::Atom::particle_is_instance ( Particle * p ) [static]

return true if the particle has the needed attributes

void IMP::atom::Atom::set_atom_type ( AtomType t )

Set the name and corresponding element and mass.

static Atom IMP::atom::Atom::setup_particle	(	Particle *	p,
		AtomType	t
	)		`[static]`

Create a decorator with the passed type and coordinates.

static Atom IMP::atom::Atom::setup_particle	(	Particle *	p,
		Atom	o
	)		`[static]`

Create a decorator by copying from o.

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