IMP::core::Centroid Class Reference
A particle that is the centroid of other particles. More...
#include <IMP/core/CentroidOfRefined.h>
Inheritance diagram for IMP::core::Centroid:Public Member Functions | |
| Centroid (Model *m, ParticleIndex id) | |
| Centroid (::IMP::kernel::Particle *p) | |
| void | show (std::ostream &out=std::cout) const |
| Public Member Functions inherited from IMP::core::XYZ | |
| XYZ (Model *m, ParticleIndex id) | |
| XYZ (::IMP::kernel::Particle *p) | |
| void | add_to_derivative (int i, Float v, DerivativeAccumulator &d) |
| Add something to the derivative of the ith coordinate. | |
| void | add_to_derivatives (const algebra::Vector3D &v, DerivativeAccumulator &d) |
| Add something to the derivative of the coordinates. | |
| Float | get_coordinate (int i) const |
| Get the ith coordinate. | |
| const algebra::Vector3D & | get_coordinates () const |
| Convert it to a vector. More... | |
| bool | get_coordinates_are_optimized () const |
| Get whether the coordinates are optimized. More... | |
| Float | get_derivative (int i) const |
| Get the ith coordinate derivative. | |
| algebra::Vector3D | get_derivatives () const |
| Get the vector of derivatives. More... | |
| algebra::Vector3D | get_vector_to (const XYZ &b) const |
| Get the vector from this particle to another. | |
| Float | get_x () const |
| Float | get_y () const |
| Float | get_z () const |
| void | set_coordinate (unsigned int i, Float v) |
| set the ith coordinate | |
| void | set_coordinates (const algebra::Vector3D &v) |
| set all coordinates from a vector | |
| void | set_coordinates_are_optimized (bool tf) const |
| Set whether the coordinates are optimized. | |
| void | set_x (Float t) |
| void | set_y (Float t) |
| void | set_z (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 Centroid | decorate_particle (::IMP::kernel::Particle *p) |
| static bool | particle_is_instance (Particle *p) |
| static Centroid | setup_particle (Particle *p, Refiner *ref) |
| static Centroid | setup_particle (Particle *p, const XYZs &members) |
| Static Public Member Functions inherited from IMP::core::XYZ | |
| static XYZ | decorate_particle (::IMP::kernel::Particle *p) |
| static FloatKey | get_coordinate_key (unsigned int i) |
| static const FloatKeys & | get_xyz_keys () |
| Get a vector containing the keys for x,y,z. More... | |
| static bool | particle_is_instance (Particle *p) |
| static bool | particle_is_instance (Model *m, ParticleIndex pi) |
| static XYZ | setup_particle (Model *m, ParticleIndex pi, const algebra::Vector3D v=algebra::Vector3D(0, 0, 0)) |
| static XYZ | setup_particle (Particle *p, const algebra::Vector3D v=algebra::Vector3D(0, 0, 0)) |
| 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) | |
| Related Functions inherited from IMP::core::XYZ | |
| double | get_dihedral (XYZ a, XYZ b, XYZ c, XYZ d) |
| Compute the dihedral angle (in radians) between the four particles. | |
| double | get_distance (XYZ a, XYZ b) |
| Compute the distance between a pair of particles. | |
Detailed Description
A decorator which sets up a particle to be the centroid of a set of other particles.
- Note
- The maintenance of the invariant is done by an associated IMP::Constraint. As a result, the state is only guaranteed to be correct either during model evaluation, or immediately following model evaluation before any particles have been changed.
Definition at line 54 of file CentroidOfRefined.h.
The documentation for this class was generated from the following file: