IMP
2.0.0
The Integrative Modeling Platform
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A particle that describes a dihedral angle between four particles. More...
#include <IMP/atom/angle_decorators.h>
Public Member Functions | |
Dihedral (Model *m, ParticleIndex id) | |
Dihedral (::IMP::kernel::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::kernel::Decorator | |
ParticleIndex | get_particle_index () const |
Particle * | get_particle () const |
Model * | get_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) | |
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.)
Definition at line 78 of file angle_decorators.h.