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.

Definition at line 73 of file angle_decorators.h.

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. More...

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
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 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)

Member Function Documentation

kernel::Particle* IMP::atom::Dihedral::get_particle ( unsigned int i ) const

Get the ith particle in the dihedral.

Definition at line 99 of file angle_decorators.h.

Here is the call graph for this function:

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.

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

angle_decorators.h

Detailed Description

Public Member Functions

Static Public Member Functions

Additional Inherited Members

Member Function Documentation