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IMP
2.2.0
The Integrative Modeling Platform
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IMP
2.2.0
The Integrative Modeling Platform
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Score the bond based on a UnaryFunction,. More...
#include <IMP/atom/BondSingletonScore.h>
Inheritance diagram for IMP::atom::BondSingletonScore:Public Member Functions | |
| BondSingletonScore (UnaryFunction *f) | |
| Use f to penalize deviations in length. | |
| virtual kernel::ModelObjectsTemp | do_get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const |
| double | evaluate_if_good_indexes (kernel::Model *m, const kernel::ParticleIndexes &p, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const |
| virtual double | evaluate_index (kernel::Model *m, kernel::ParticleIndex p, DerivativeAccumulator *da) const |
| Compute the score and the derivative if needed. | |
| double | evaluate_indexes (kernel::Model *m, const kernel::ParticleIndexes &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const |
| virtual std::string | get_type_name () const |
| UnaryFunction * | get_unary_function () const |
| virtual ::IMP::base::VersionInfo | get_version_info () const |
| Get information about the module and version of the object. | |
| Public Member Functions inherited from IMP::kernel::SingletonScore | |
| SingletonScore (std::string name="SingletonScore %1%") | |
| Restraints | create_current_decomposition (kernel::Model *m, kernel::ParticleIndex vt) const |
| virtual double | evaluate (kernel::Particle *vt, DerivativeAccumulator *da) const |
| Compute the score and the derivative if needed. More... | |
| virtual double | evaluate_if_good_index (kernel::Model *m, kernel::ParticleIndex vt, DerivativeAccumulator *da, double max) const |
| Compute the score and the derivative if needed. | |
| Public Member Functions inherited from IMP::kernel::ParticleInputs | |
| virtual ContainersTemp | get_input_containers (Particle *p) const |
| virtual ParticlesTemp | get_input_particles (Particle *p) const |
| ModelObjectsTemp | get_inputs (kernel::Model *m, const ParticleIndexes &pis) const |
| Public Member Functions inherited from IMP::base::Object | |
| virtual void | clear_caches () |
| virtual void | do_destroy () |
| 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::kernel::SingletonScore | |
| typedef kernel::Particle * | Argument |
| typedef kernel::ParticleIndex | IndexArgument |
| typedef SingletonModifier | Modifier |
| typedef kernel::Particle * | PassArgument |
| typedef kernel::ParticleIndex | PassIndexArgument |
| Protected Member Functions inherited from IMP::kernel::SingletonScore | |
| virtual Restraints | do_create_current_decomposition (kernel::Model *m, kernel::ParticleIndex vt) const |
| Protected Member Functions inherited from IMP::base::Object | |
| Object (std::string name) | |
| Construct an object with the given name. More... | |
The score is based on the difference between the stored length and the actual length and scaled by the stiffness. That is stiffness * (distance-bond_length)
Definition at line 27 of file BondSingletonScore.h.
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virtual |
Overload this method to specify the inputs.
Reimplemented from IMP::kernel::ParticleInputs.
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virtual |
Implementations for these are provided by the IMP_SINGLETON_SCORE() macro.
Reimplemented from IMP::kernel::SingletonScore.
Definition at line 38 of file BondSingletonScore.h.
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virtual |
Implementations for these are provided by the IMP_SINGLETON_SCORE() macro.
Reimplemented from IMP::kernel::SingletonScore.
Definition at line 38 of file BondSingletonScore.h.