Detailed Description

A particle that is the center of mass of other particles.

A decorator which constrains a particle to be the center of mass of a set of other particles, and whose mass is the sum of their masses. The c.o.m. is updated before model evaluation and its derivatives are copied to its children, using a constraint that is created at setup time. The derivatives propagated to each particle are scaled based on its mass relative to the total mass.

Note: The maintenance of the invariant is done by an associated IMP::Constraint. As a result, the state is only guaranteed to be correct either during model evaluation, or immediately following model evaluation before any particles have been changed.

Definition at line 33 of file CenterOfMass.h.

Public Member Functions
	CenterOfMass (::IMP::Model *m,::IMP::ParticleIndex id)

	CenterOfMass (const IMP::ParticleAdaptor &d)

Constraint *	get_constraint () const

Float	get_coordinate (int i) const

const algebra::Vector3D &	get_coordinates () const

Float	get_mass () const

void	show (std::ostream &out=std::cout) const

Public Member Functions inherited from IMP::Decorator
bool	get_is_valid () const
	Returns true if constructed with a non-default constructor. More...

Model *	get_model () const
	Returns the Model containing the particle. More...

Particle *	get_particle () const
	Returns the particle decorated by this decorator. More...

ParticleIndex	get_particle_index () const
	Returns the particle index decorated by this decorator. More...

	operator Particle * () const

	operator ParticleIndex () const

Particle *	operator-> () const

Static Public Member Functions
static bool	get_is_setup (const IMP::ParticleAdaptor &p)

static bool	get_is_setup (Model *m, ParticleIndex pi)

static CenterOfMass	setup_particle (Model *m, ParticleIndex pi, ParticleIndexesAdaptor members)

static CenterOfMass	setup_particle (IMP::ParticleAdaptor pa, ParticleIndexesAdaptor members)

static CenterOfMass	setup_particle (Model m, ParticleIndex pi, Refiner refiner)

static CenterOfMass	setup_particle (IMP::ParticleAdaptor pa, Refiner *refiner)

static void	teardown_particle (CenterOfMass com)
	Make the particle no longer a center of mass. More...

Additional Inherited Members
Protected Member Functions inherited from IMP::Decorator
	Decorator (Model *m, ParticleIndex pi)

	Decorator (ParticleAdaptor p)

Member Function Documentation

static CenterOfMass IMP::atom::CenterOfMass::setup_particle	(	IMP::ParticleAdaptor	pa,
		ParticleIndexesAdaptor	members
	)

static

Returns: a CenterOfMass object that decorates the particle specified by pa

See Also: setup_particle(m, pi, members )

Definition at line 81 of file CenterOfMass.h.

static CenterOfMass IMP::atom::CenterOfMass::setup_particle	(	Model *	m,
		ParticleIndex	pi,
		ParticleIndexesAdaptor	members
	)

static

Sets up CenterOfMass over members, and constrains CenterOfMass to be computed before model evaluation and to propagate derivatives following model evaluation.

pi is decorated with core::XYZ and atom::Mass decorators, its coordinates are set to the current center of mass of pis, and its mass is set to the sum of their masses.

Returns: a CenterOfMass object that decorates particle pi

Definition at line 81 of file CenterOfMass.h.

static CenterOfMass IMP::atom::CenterOfMass::setup_particle	(	IMP::ParticleAdaptor	pa,
		Refiner *	refiner
	)

static

Returns: a CenterOfMass object that decorates the particle specified by pa

See Also: setup_particle(m, pi, refiner )

Definition at line 93 of file CenterOfMass.h.

static CenterOfMass IMP::atom::CenterOfMass::setup_particle	(	Model *	m,
		ParticleIndex	pi,
		Refiner *	refiner
	)

static

Sets up CenterOfMass over particles passed by applying the refiner over the particle pi, and constrains CenterOfMass to be computed before model evaluation and to propagate derivatives following model evaluation.

pi is decorated with the core::XYZ and atom::Mass decorators, its coordinates are set to the current center of mass of refiner->get_refined_indexes(m, pi), and its mass is set to the sum of their masses.

Returns: a CenterOfMass object that decorates particle pi

Definition at line 93 of file CenterOfMass.h.

static void IMP::atom::CenterOfMass::teardown_particle ( CenterOfMass com )

static

Make the particle no longer a center of mass.

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

CenterOfMass.h

Detailed Description

Public Member Functions

Static Public Member Functions

Additional Inherited Members

Member Function Documentation