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IMP Reference Guide
develop.63b38c487d,2024/12/21
The Integrative Modeling Platform
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Set a particle to be the centroid of the refined particles. More...
#include <IMP/core/CentroidOfRefined.h>
Inheritance diagram for IMP::core::CentroidOfRefined:Set a particle to be the centroid of the refined particles.
Set the coordinates (or any float keys) of the particle to be the centroid of the corresponding keys in a set of fine particles. An exception is thrown if there are no refined particles. The weight FloatKey can be used to reweight the centroid computation, or it can be set to FloatKey() and then all the weights will be equal to 1.0.
Definition at line 34 of file CentroidOfRefined.h.
Public Member Functions | |
| CentroidOfRefined (Refiner *r, FloatKey weight=FloatKey(), FloatKeys ks=XYZ::get_xyz_keys()) | |
| Set the keys ks to be the average of the refined particles. More... | |
| virtual void | apply_index (Model *m, ParticleIndex pi) const override |
| virtual void | apply_indexes (Model *m, const ParticleIndexes &o, unsigned int lower_bound, unsigned int upper_bound) const overridefinal |
| virtual ModelObjectsTemp | do_get_inputs (Model *m, const ParticleIndexes &pis) const override |
| Overload this method to specify the inputs. More... | |
| virtual ModelObjectsTemp | do_get_outputs (Model *m, const ParticleIndexes &pis) const override |
| Overload this method to specify the outputs. More... | |
| virtual std::string | get_type_name () const override |
| virtual ::IMP::VersionInfo | get_version_info () const override |
| Get information about the module and version of the object. More... | |
| Public Member Functions inherited from IMP::SingletonModifier | |
| SingletonModifier (std::string name="SingletonModifier %1%") | |
| virtual void | apply_indexes_moved (Model *m, const ParticleIndexes &o, unsigned int lower_bound, unsigned int upper_bound, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis) const |
| Public Member Functions inherited from IMP::ParticleInputs | |
| ModelObjectsTemp | get_inputs (Model *m, const ParticleIndexes &pis) const |
| Get the ModelObjects read when the given list of particles is used. More... | |
| Public Member Functions inherited from IMP::ParticleOutputs | |
| ModelObjectsTemp | get_outputs (Model *m, const ParticleIndexes &pis) const |
| Get the ModelObjects changed when the given list of particles is used. More... | |
| Public Member Functions inherited from IMP::Object | |
| virtual void | clear_caches () |
| CheckLevel | get_check_level () const |
| LogLevel | get_log_level () const |
| void | set_check_level (CheckLevel l) |
| void | set_log_level (LogLevel l) |
| Set the logging level used in this object. More... | |
| void | set_was_used (bool tf) const |
| void | show (std::ostream &out=std::cout) const |
| const std::string & | get_name () const |
| void | set_name (std::string name) |
Additional Inherited Members | |
| Public Types inherited from IMP::SingletonModifier | |
| typedef Particle * | Argument |
| typedef ParticleIndex | IndexArgument |
| Protected Member Functions inherited from IMP::Object | |
| Object (std::string name) | |
| Construct an object with the given name. More... | |
| virtual void | do_destroy () |
| IMP::core::CentroidOfRefined::CentroidOfRefined | ( | Refiner * | r, |
| FloatKey | weight = FloatKey(), |
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| FloatKeys | ks = XYZ::get_xyz_keys() |
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| ) |
Set the keys ks to be the average of the refined particles.
| r | refiner used to retrieve the set of fine particles |
| weight | a key used to reweight the contribution of each fine particle to the centroid (eg, mass). In the centroid, this key will be set by apply_index() to the sum of all weights. A default weight of 1.0 is used if weight equals FloatKey(). |
| ks | the keys over which the centroid is calculated |
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overridevirtual |
Compute the weighted centroid of the keys of refine particles (as passed in the constructor), and store the centroid values in the corresponding keys of particle pi. The sum of all weight of the refined particles are stored in the corresponding weight key of pi (it is assumed that pi has this key).
| m | the model of pi |
| pi | the centroid particle |
Implements IMP::SingletonModifier.
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finaloverridevirtual |
Apply the function to a collection of ParticlesTemp If bounds are passed, only apply to ones between the upper and lower bounds.
Reimplemented from IMP::SingletonModifier.
Definition at line 71 of file CentroidOfRefined.h.
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overridevirtual |
Overload this method to specify the inputs.
Implements IMP::ParticleInputs.
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overridevirtual |
Overload this method to specify the outputs.
Implements IMP::ParticleOutputs.
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overridevirtual |
Get information about the module and version of the object.
Reimplemented from IMP::Object.
Definition at line 73 of file CentroidOfRefined.h.