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 |
| 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) | |
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: