IMP::atom::Dihedral Class Reference

A particle that describes a dihedral angle between four particles. More...

#include <IMP/atom/angle_decorators.h>

Inheritance diagram for IMP::atom::Dihedral:

Public Member Functions
	Dihedral (::IMP::kernel::Model *m,::IMP::kernel::ParticleIndex id)
	Dihedral (const IMP::kernel::ParticleAdaptor &d)
Float	get_ideal () const
Int	get_multiplicity () const
kernel::Particle *	get_particle () const
kernel::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::kernel::Decorator
Model *	get_model () const
	Returns the Model containing the particle.
Particle *	get_particle () const
ParticleIndex	get_particle_index () const
	operator Particle * () const
	operator ParticleIndex () const
Particle *	operator-> () const

Static Public Member Functions
static Dihedral	decorate_particle (::IMP::kernel::Particle *p)
static FloatKey	get_ideal_key ()
static bool	get_is_setup (const IMP::kernel::ParticleAdaptor &p)
static bool	get_is_setup (kernel::Model *m, kernel::ParticleIndex pi)
static IntKey	get_multiplicity_key ()
static kernel::ParticleIndexKey	get_particle_key (unsigned int i)
static FloatKey	get_stiffness_key ()
static Dihedral	setup_particle (IMP::kernel::ParticleAdaptor decorator, core::XYZ a, core::XYZ b, core::XYZ c, core::XYZ d)
static Dihedral	setup_particle (kernel::Model *m, ParticleIndex pi, core::XYZ a, core::XYZ b, core::XYZ c, core::XYZ d)

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

Detailed Description

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.

Definition at line 73 of file angle_decorators.h.

Member Function Documentation

static Dihedral IMP::atom::Dihedral::decorate_particle ( ::IMP::kernel::Particle *  p )

static

Deprecated:

As of IMP release 2.1. See the IMP Deprecation Policy for more information about deprecation in IMP. Check explicitly instead.

Definition at line 85 of file angle_decorators.h.

static Dihedral IMP::atom::Dihedral::setup_particle ( kernel::Model *  m, ParticleIndex  pi, core::XYZ  a, core::XYZ  b, core::XYZ  c, core::XYZ  d  )

static

Setup the particle so it can be used with this decorator.

Definition at line 87 of file angle_decorators.h.

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

• angle_decorators.h