IMP  2.0.0
The Integrative Modeling Platform
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 (Model *m, ParticleIndex id)
 
 Dihedral (::IMP::kernel::Particle *p)
 
Float get_ideal () const
 
Int get_multiplicity () const
 
Particleget_particle () const
 
Particleget_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
ParticleIndex get_particle_index () const
 
Particleget_particle () const
 
Modelget_model () const
 Returns the Model containing the particle.
 
 Decorator (Particle *p)
 
 Decorator ()
 

Static Public Member Functions

static Dihedral decorate_particle (::IMP::kernel::Particle *p)
 
static FloatKey get_ideal_key ()
 
static IntKey get_multiplicity_key ()
 
static ParticleIndexKey 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 Public Member Functions inherited from IMP::kernel::Decorator
static bool particle_is_instance (Particle *p)
 Return true if the particle can be cast to the decorator. More...
 

Additional Inherited Members

- Protected Member Functions inherited from IMP::kernel::Decorator
 Decorator (Model *m, ParticleIndex pi)
 
 Decorator (Particle *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 78 of file angle_decorators.h.


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