Detailed Description

A rigid body that is diffusing, so it also has a rotation diffusion coefficient. The units on the rotational coefficient are \(radians^2/fs\).

Definition at line 77 of file Diffusion.h.

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

	RigidBodyDiffusion (const IMP::kernel::ParticleAdaptor &d)

double	get_rotational_diffusion_coefficient () const

void	set_rotational_diffusion_coefficient (double d) const

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

Public Member Functions inherited from IMP::atom::Diffusion
	Diffusion (::IMP::kernel::Model *m,::IMP::kernel::ParticleIndex id)

	Diffusion (const IMP::kernel::ParticleAdaptor &d)

double	get_diffusion_coefficient () const

void	set_diffusion_coefficient (double d)

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

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

	XYZ (const IMP::kernel::ParticleAdaptor &d)

void	add_to_derivative (int i, Float v, DerivativeAccumulator &d)
	Add something to the derivative of the ith coordinate. More...

void	add_to_derivatives (const algebra::Vector3D &v, DerivativeAccumulator &d)
	Add something to the derivative of the 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
	Get the ith coordinate derivative. More...

algebra::Vector3D	get_derivatives () const
	Get the vector of 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::kernel::Decorator
bool	get_is_valid () const

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::kernel::ParticleAdaptor &p)

static bool	get_is_setup (kernel::Model *m, kernel::ParticleIndex p)
	Return true if the particle is an instance of an Diffusion. More...

static FloatKey	get_rotational_diffusion_coefficient_key ()
	Get the D key. More...

static RigidBodyDiffusion	setup_particle (IMP::kernel::ParticleAdaptor decorator)

static RigidBodyDiffusion	setup_particle (kernel::Model *m, ParticleIndex pi)

Static Public Member Functions inherited from IMP::atom::Diffusion
static FloatKey	get_diffusion_coefficient_key ()
	Get the D key. More...

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

static bool	get_is_setup (kernel::Model *m, kernel::ParticleIndex p)
	Return true if the particle is an instance of an Diffusion. More...

static Diffusion	setup_particle (kernel::Model *m, ParticleIndex pi, Float D)

static Diffusion	setup_particle (IMP::kernel::ParticleAdaptor decorator, Float D)

static Diffusion	setup_particle (IMP::kernel::ParticleAdaptor decorator, algebra::Vector3D v, Float D)

static Diffusion	setup_particle (kernel::Model *m, ParticleIndex pi, algebra::Vector3D v, Float D)

static Diffusion	setup_particle (kernel::Model *m, ParticleIndex pi)

static Diffusion	setup_particle (IMP::kernel::ParticleAdaptor decorator)

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

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

static bool	get_is_setup (kernel::Model *m, kernel::ParticleIndex pi)

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

static XYZ	setup_particle (IMP::kernel::ParticleAdaptor decorator)

static XYZ	setup_particle (kernel::Model *m, ParticleIndex pi)

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

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

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

	Decorator (ParticleAdaptor p)

Member Function Documentation

static bool IMP::atom::RigidBodyDiffusion::get_is_setup	(	kernel::Model *	m,
		kernel::ParticleIndex	p
	)

static

Return true if the particle is an instance of an Diffusion.

Definition at line 96 of file Diffusion.h.

static FloatKey IMP::atom::RigidBodyDiffusion::get_rotational_diffusion_coefficient_key ( )

static

Get the D key.

static RigidBodyDiffusion IMP::atom::RigidBodyDiffusion::setup_particle	(	kernel::Model *	m,
		ParticleIndex	pi
	)

static

All diffusion coefficients are determined from the radius Setup the particle so it can be used with this decorator.

Definition at line 83 of file Diffusion.h.

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

Diffusion.h

Detailed Description

Public Member Functions

Static Public Member Functions

Additional Inherited Members

Member Function Documentation