IMP::atom::Dihedral Class Reference

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Detailed Description

A particle that describes a dihedral angle between four particles.

An Angle decorator is a simple container of four particles, together with an ideal value (in radians) for the angle, a multiplicity and a stiffness.

Note that multiple Dihedral particles can exist for the same set of four particles. (For example, the CHARMM forcefield allows for multiple dihedrals to exist with different multiplicities.)

See also:

CHARMMParameters::create_dihedrals(), CHARMMTopology::add_impropers(), DihedralSingletonScore, ImproperSingletonScore.

Inheritance diagram for IMP::atom::Dihedral:

List of all members.

Public Member Functions
	Dihedral (Model *m, ParticleIndex id)
	Dihedral (::IMP::Particle *p)
Float	get_ideal () const
Int	get_multiplicity () const
Particle *	get_particle () const
Particle *	get_particle (unsigned int i) const
	Get the ith particle in the dihedral.
Float	get_stiffness () const
void	set_ideal (Float t)
void	set_multiplicity (Int t)
void	set_stiffness (Float t)
void	show (std::ostream &out=std::cout) const
Public Member Functions inherited from IMP::Decorator
std::size_t	__hash__ () const
ParticleIndex	get_particle_index () const
Model *	get_model () const
	Returns the Model containing the particle.
	Decorator (Particle *p)
	Decorator ()

Static Public Member Functions
static Dihedral	decorate_particle (::IMP::Particle *p)
static FloatKey	get_ideal_key ()
static IntKey	get_multiplicity_key ()
static ParticleKey	get_particle_key (unsigned int i)
static FloatKey	get_stiffness_key ()
static bool	particle_is_instance (Particle *p)
	Return true if the particle is a dihedral.
static Dihedral	setup_particle (Particle *p, core::XYZ a, core::XYZ b, core::XYZ c, core::XYZ d)
	Create a dihedral with the given particles.
static Decorator	setup_particle (Particle *p, extra_arguments)

Additional Inherited Members
Protected Member Functions inherited from IMP::Decorator
	Decorator (Model *m, ParticleIndex pi)
	Decorator (Particle *p)
int	compare (base::Object *o) const

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Member Function Documentation

Particle* IMP::atom::Dihedral::get_particle

(

)

const

Returns the particle decorated by this decorator. Returns the particle decorated by this decorator.

Reimplemented from IMP::Decorator.

Particle* IMP::atom::Dihedral::get_particle

(

unsigned int

i

)

const

Get the ith particle in the dihedral.

static bool IMP::atom::Dihedral::particle_is_instance ( Particle *  p )

static

Return true if the particle is a dihedral.

Reimplemented from IMP::Decorator.

static Dihedral IMP::atom::Dihedral::setup_particle ( Particle *  p, core::XYZ  a, core::XYZ  b, core::XYZ  c, core::XYZ  d  )

static

Create a dihedral with the given particles.

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

• angle_decorators.h