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IMP Reference Guide
develop.169ea894ba,2025/11/01
The Integrative Modeling Platform
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#include <IMP/npctransport/PoreRadiusSingletonScore.h>
Inheritance diagram for IMP::npctransport::PoreRadiusSingletonScore:a harmonic score on the pore radius of a slab particle /see SlabWithPore
Definition at line 23 of file PoreRadiusSingletonScore.h.
Public Member Functions | |
| PoreRadiusSingletonScore (Float mean, Float k) | |
| virtual ModelObjectsTemp | do_get_inputs (Model *m, const ParticleIndexes &pis) const override |
| Overload this method to specify the inputs. More... | |
| void | set_k (double k) |
| set the coefficient of the score harmonic to k More... | |
| Public Member Functions inherited from IMP::core::GenericAttributeSingletonScore< core::Harmonic > | |
| GenericAttributeSingletonScore (core::Harmonic *f, FloatKey k) | |
| Apply function f to attribute k. More... | |
| double | evaluate_if_good_indexes (Model *m, const ParticleIndexes &p, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=false) const override |
| virtual double | evaluate_index (Model *m, ParticleIndex p, DerivativeAccumulator *da) const override |
| Compute the score and the derivative if needed. More... | |
| double | evaluate_indexes (Model *m, const ParticleIndexes &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound, bool all_indexes_checked=false) const overridefinal |
| Compute the score and the derivative if needed over a set. More... | |
| double | evaluate_indexes_delta (Model *m, const ParticleIndexes &p, DerivativeAccumulator *da, const std::vector< unsigned > &indexes, std::vector< double > &score, bool all_indexes_checked=false) const overridefinal |
| Compute the change in score and the derivative if needed over a set. More... | |
| double | evaluate_indexes_scores (Model *m, const ParticleIndexes &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound, std::vector< double > &score, bool all_indexes_checked=false) const overridefinal |
| Compute the score and the derivative if needed over a set. More... | |
| virtual std::string | get_type_name () const override |
| core::Harmonic * | get_unary_function () |
| get access to the unary function object used for scoring the attribute More... | |
| 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::SingletonScore | |
| SingletonScore (std::string name="SingletonScore %1%") | |
| virtual bool | check_indexes (Model *m, const ParticleIndexes &pis) const |
| Check the given particle indexes for necessary attributes. More... | |
| Restraints | create_current_decomposition (Model *m, ParticleIndex vt) const |
| virtual double | evaluate_if_good_index (Model *m, ParticleIndex vt, DerivativeAccumulator *da, double max) const |
| Compute the score and the derivative if needed, only if "good". More... | |
| 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::Object | |
| virtual void | clear_caches () |
| CheckLevel | get_check_level () const |
| def | get_derived_object |
| Return this object cast to the most derived subclass. More... | |
| 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::SingletonScore | |
| typedef Particle * | Argument |
| typedef ParticleIndex | IndexArgument |
| typedef SingletonModifier | Modifier |
| typedef Particle * | PassArgument |
| typedef ParticleIndex | PassIndexArgument |
| Protected Member Functions inherited from IMP::SingletonScore | |
| virtual Restraints | do_create_current_decomposition (Model *m, ParticleIndex vt) const |
| Override this to return your own decomposition. More... | |
| Protected Member Functions inherited from IMP::Object | |
| Object (std::string name) | |
| Construct an object with the given name. More... | |
| virtual void | do_destroy () |
initialize a harmonic score on the pore radius key, as defined by SlabWithPore::get_pore_radius_key()
Definition at line 33 of file PoreRadiusSingletonScore.h.
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overridevirtual |
Overload this method to specify the inputs.
Reimplemented from IMP::core::GenericAttributeSingletonScore< core::Harmonic >.
| void IMP::npctransport::PoreRadiusSingletonScore::set_k | ( | double | k | ) |
set the coefficient of the score harmonic to k
Definition at line 43 of file PoreRadiusSingletonScore.h.