IMP Reference Guide
2.14.0
The Integrative Modeling Platform
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A particle that is the geometric centroid of other particles. More...
#include <IMP/core/CentroidOfRefined.h>
A particle that is the geometric centroid of other particles.
A decorator which constrains a particle to be the centroid of a set of other particles. The centroid is updated before model evaluation and its derivatives are copied to its children, using a constraint that is created at setup time.
Definition at line 84 of file CentroidOfRefined.h.
Public Member Functions | |
Centroid (const IMP::ParticleAdaptor &d) | |
Centroid (::IMP::Model *m,::IMP::ParticleIndex id) | |
Constraint * | get_constraint () const |
void | show (std::ostream &out=std::cout) const |
Public Member Functions inherited from IMP::core::XYZ | |
XYZ (::IMP::Model *m,::IMP::ParticleIndex id) | |
XYZ (const IMP::ParticleAdaptor &d) | |
void | add_to_derivative (int i, Float v, DerivativeAccumulator &d) |
void | add_to_derivatives (const algebra::Vector3D &v, DerivativeAccumulator &d) |
Add the vector v to the derivative vector of the x,y,z coordinates. More... | |
Float | get_coordinate (int i) const |
Get the ith coordinate. More... | |
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 |
algebra::Vector3D | get_derivatives () const |
Get the vector of derivatives accumulated by add_to_derivatives(). More... | |
algebra::Vector3D | get_vector_to (const XYZ &b) const |
Get the vector from this particle to another. More... | |
Float | get_x () const |
Float | get_y () const |
Float | get_z () const |
void | set_coordinate (unsigned int i, Float v) |
set the ith coordinate More... | |
void | set_coordinates (const algebra::Vector3D &v) |
set all coordinates from a vector More... | |
void | set_coordinates_are_optimized (bool tf) const |
Set whether the coordinates are optimized. More... | |
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::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 bool | get_is_setup (const IMP::ParticleAdaptor &p) |
static bool | get_is_setup (Model *m, ParticleIndex pi) |
static Centroid | setup_particle (IMP::ParticleAdaptor decorator, Refiner *refiner) |
static Centroid | setup_particle (Model *m, ParticleIndex pi, Refiner *refiner) |
static Centroid | setup_particle (IMP::ParticleAdaptor decorator, ParticleIndexesAdaptor members) |
static Centroid | setup_particle (Model *m, ParticleIndex pi, ParticleIndexesAdaptor members) |
Static Public Member Functions inherited from IMP::core::XYZ | |
static FloatKey | get_coordinate_key (unsigned int i) |
static bool | get_is_setup (const IMP::ParticleAdaptor &p) |
static bool | get_is_setup (Model *m, ParticleIndex pi) |
static const FloatKeys & | get_xyz_keys () |
Get a vector containing the keys for x,y,z. More... | |
static XYZ | setup_particle (IMP::ParticleAdaptor decorator) |
static XYZ | setup_particle (Model *m, ParticleIndex pi) |
static XYZ | setup_particle (IMP::ParticleAdaptor decorator, algebra::Vector3D v) |
static XYZ | setup_particle (Model *m, ParticleIndex pi, algebra::Vector3D v) |
Additional Inherited Members | |
Protected Member Functions inherited from IMP::Decorator | |
Decorator (Model *m, ParticleIndex pi) | |
Decorator (ParticleAdaptor p) | |
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Definition at line 84 of file CentroidOfRefined.h.
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Definition at line 84 of file CentroidOfRefined.h.
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Sets up Centroid over members, and constrains Centroid to be computed before model evaluation and to propagate derivatives following model evaluation. Centroid is computed before each evaluation Setup the particle so that it can be used with this decorator
Definition at line 84 of file CentroidOfRefined.h.
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Sets up Centroid over particles passed by applying the refiner over the particle pi, and constrains Centroid to be computed before model evaluation and to propagate derivatives following model evaluation. Centroid is computed before each evaluation Setup the particle so that it can be used with this decorator
Definition at line 84 of file CentroidOfRefined.h.