Detailed Description

A particle that is the geometric centroid of other particles.

A decorator which constrains a particle to be the centroid of a set of other particles. The centroid is updated before model evaluation and its derivatives are copied to its children, using a constraint that is created at setup time.

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 85 of file CentroidOfRefined.h.

Public Member Functions
	Centroid (const IMP::ParticleAdaptor &d)

	Centroid (::IMP::Model *m,::IMP::ParticleIndex id)

Constraint *	get_constraint () const

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

Public Member Functions inherited from IMP::core::XYZ
	XYZ (::IMP::Model *m,::IMP::ParticleIndex id)

	XYZ (const IMP::ParticleAdaptor &d)

void	add_to_derivative (int i, Float v, DerivativeAccumulator &d)

void	add_to_derivatives (const algebra::Vector3D &v, DerivativeAccumulator &d)
	Add the vector v to the derivative vector of the x,y,z coordinates. More...

Float	get_coordinate (int i) const
	Get the ith coordinate. More...

const algebra::Vector3D &	get_coordinates () const
	Convert it to a vector. More...

bool	get_coordinates_are_optimized () const
	Get whether the coordinates are optimized. More...

Float	get_derivative (int i) const

algebra::Vector3D	get_derivatives () const
	Get the vector of derivatives accumulated by add_to_derivatives(). More...

algebra::Vector3D	get_vector_to (const XYZ &b) const
	Get the vector from this particle to another. More...

Float	get_x () const

Float	get_y () const

Float	get_z () const

void	set_coordinate (unsigned int i, Float v)
	set the ith coordinate More...

void	set_coordinates (const algebra::Vector3D &v)
	set all coordinates from a vector More...

void	set_coordinates_are_optimized (bool tf) const
	Set whether the coordinates are optimized. More...

void	set_x (Float t)

void	set_y (Float t)

void	set_z (Float t)

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 Centroid	setup_particle (IMP::ParticleAdaptor pa, Refiner *refiner)

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

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

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

Static Public Member Functions inherited from IMP::core::XYZ
static FloatKey	get_coordinate_key (unsigned int i)

static bool	get_is_setup (const IMP::ParticleAdaptor &p)

static bool	get_is_setup (Model *m, ParticleIndex pi)

static const FloatKeys &	get_xyz_keys ()
	Get a vector containing the keys for x,y,z. More...

static XYZ	setup_particle (IMP::ParticleAdaptor pa)

static XYZ	setup_particle (Model *m, ParticleIndex pi)

static XYZ	setup_particle (IMP::ParticleAdaptor pa, algebra::Vector3D v)

static XYZ	setup_particle (Model *m, ParticleIndex pi, algebra::Vector3D v)

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

	Decorator (ParticleAdaptor p)

Member Function Documentation

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

static

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

See Also: setup_particle(m, pi, refiner )

Definition at line 85 of file CentroidOfRefined.h.

static Centroid IMP::core::Centroid::setup_particle	(	IMP::ParticleAdaptor	pa,
		ParticleIndexesAdaptor	members
	)

static

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

See Also: setup_particle(m, pi, members )

Definition at line 85 of file CentroidOfRefined.h.

static Centroid IMP::core::Centroid::setup_particle	(	Model *	m,
		ParticleIndex	pi,
		ParticleIndexesAdaptor	members
	)

static

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

Returns: a Centroid object that decorates particle pi

Definition at line 85 of file CentroidOfRefined.h.

static Centroid IMP::core::Centroid::setup_particle	(	Model *	m,
		ParticleIndex	pi,
		Refiner *	refiner
	)

static

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

Returns: a Centroid object that decorates particle pi

Definition at line 85 of file CentroidOfRefined.h.

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

CentroidOfRefined.h

Detailed Description

Public Member Functions

Static Public Member Functions

Additional Inherited Members

Member Function Documentation