IMP Reference Guide
2.20.2
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>
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.)
Definition at line 73 of file angle_decorators.h.
Public Member Functions | |
Dihedral (::IMP::Model *m,::IMP::ParticleIndex id) | |
Dihedral (const IMP::ParticleAdaptor &d) | |
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. 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::Decorator | |
bool | get_is_valid () const |
Returns true if constructed with a non-default constructor. More... | |
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::ParticleAdaptor &p) |
static bool | get_is_setup (Model *m, ParticleIndex pi) |
static IntKey | get_multiplicity_key () |
static ParticleIndexKey | get_particle_key (unsigned int i) |
static FloatKey | get_stiffness_key () |
static Dihedral | setup_particle (IMP::ParticleAdaptor pa, core::XYZ a, core::XYZ b, core::XYZ c, core::XYZ d) |
static Dihedral | setup_particle (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::Decorator | |
Decorator (Model *m, ParticleIndex pi) | |
Decorator (ParticleAdaptor p) | |
Float IMP::atom::Dihedral::get_ideal | ( | ) | const |
returns the value of the ideal attribute, or -1 if \ the ideal attribute is missing
Definition at line 103 of file angle_decorators.h.
Int IMP::atom::Dihedral::get_multiplicity | ( | ) | const |
returns the value of the multiplicity attribute, or 0 if \ the multiplicity attribute is missing
Definition at line 104 of file angle_decorators.h.
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.
Float IMP::atom::Dihedral::get_stiffness | ( | ) | const |
returns the value of the stiffness attribute, or 0. if \ the stiffness attribute is missing
Definition at line 105 of file angle_decorators.h.
void IMP::atom::Dihedral::set_ideal | ( | Float | t | ) |
sets the ideal attribute to t
Definition at line 103 of file angle_decorators.h.
void IMP::atom::Dihedral::set_multiplicity | ( | Int | t | ) |
sets the multiplicity attribute to t
Definition at line 104 of file angle_decorators.h.
void IMP::atom::Dihedral::set_stiffness | ( | Float | t | ) |
sets the stiffness attribute to t
Definition at line 105 of file angle_decorators.h.
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Definition at line 87 of file angle_decorators.h.
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Definition at line 87 of file angle_decorators.h.