IMP
2.0.0
The Integrative Modeling Platform
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Score the angle based on a UnaryFunction,. More...
#include <IMP/atom/AngleSingletonScore.h>
Public Member Functions | |
AngleSingletonScore (UnaryFunction *f) | |
Use f to penalize deviations in angle. | |
virtual void | do_show (std::ostream &out) const |
Public Member Functions inherited from IMP::kernel::SingletonScore | |
SingletonScore (std::string name="SingletonScore %1%") | |
Restraints | create_current_decomposition (Model *m, ParticleIndex vt) const |
virtual double | evaluate (Particle *vt, DerivativeAccumulator *da) const |
Compute the score and the derivative if needed. | |
virtual double | evaluate_if_good_index (Model *m, ParticleIndex vt, DerivativeAccumulator *da, double max) const |
Compute the score and the derivative if needed. | |
virtual double | evaluate_if_good_indexes (Model *m, const ParticleIndexes &o, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const |
virtual double | evaluate_index (Model *m, ParticleIndex vt, DerivativeAccumulator *da) const |
Compute the score and the derivative if needed. | |
virtual double | evaluate_indexes (Model *m, const ParticleIndexes &o, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const |
ContainersTemp | get_input_containers (Particle *p) const |
ParticlesTemp | get_input_particles (Particle *p) const |
ModelObjectsTemp | get_inputs (Model *m, const ParticleIndexes &pis) const |
Public Member Functions inherited from IMP::base::Object | |
virtual void | clear_caches () |
virtual IMP::base::VersionInfo | get_version_info () const =0 |
Get information about the module and version of the object. | |
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) |
Related Functions | |
(Note that these are not member functions.) | |
typedef IMP::base::Vector < IMP::base::WeakPointer < AngleSingletonScore > > | AngleSingletonScoresTemp |
Related Functions inherited from IMP::kernel::SingletonScore | |
typedef IMP::base::Vector < IMP::base::WeakPointer < SingletonScore > > | SingletonScoresTemp |
Related Functions inherited from IMP::base::Object | |
typedef IMP::base::Vector < IMP::base::WeakPointer < Object > > | ObjectsTemp |
Additional Inherited Members | |
Public Types inherited from IMP::kernel::SingletonScore | |
typedef Particle * | Argument |
typedef ParticleIndex | IndexArgument |
typedef SingletonModifier | Modifier |
typedef Particle * | PassArgument |
typedef ParticleIndex | PassIndexArgument |
Protected Member Functions inherited from IMP::kernel::SingletonScore | |
virtual Restraints | do_create_current_decomposition (Model *m, ParticleIndex vt) const |
virtual ModelObjectsTemp | do_get_inputs (Model *m, const ParticleIndexes &pis) const =0 |
This scores the angle using information stored in its Angle decorator. The score is based on the difference between the stored ideal angle and the actual angle and scaled by the stiffness. That is stiffness * (angle-ideal_value). The difference is in radians between -pi and +pi; it is the shortest distance from one angle to the other.
Definition at line 30 of file AngleSingletonScore.h.
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related |
Pass a set of objects.
Definition at line 39 of file AngleSingletonScore.h.