IMP::kernel::RestraintSet Class Reference
Object used to hold a set of restraints. More...
#include "IMP/RestraintSet.h"
Inheritance diagram for IMP::kernel::RestraintSet:Public Member Functions | |
| RestraintSet (Model *m, double weight, const std::string &name="RestraintSet %1%") | |
| Create an empty set that is registered with the model. | |
| RestraintSet (const RestraintsTemp &rs, double weight, const std::string &name="RestraintSet %1%") | |
| Create a set that is registered with the model. | |
| std::pair< RestraintsTemp, RestraintSetsTemp > | get_non_sets_and_sets () const |
| double | unprotected_evaluate (DerivativeAccumulator *da) const |
| Public Member Functions inherited from IMP::kernel::Restraint | |
| Restraint (Model *m, std::string name) | |
| void | add_score_and_derivatives (ScoreAccumulator sa) const |
| Restraint * | create_current_decomposition () const |
| Decompose this restraint into constituent terms for the current conf. More... | |
| Restraint * | create_decomposition () const |
| Decompose this restraint into constituent terms. More... | |
| virtual ScoringFunction * | create_scoring_function (double weight=1.0, double max=NO_MAX) const |
| ContainersTemp | get_input_containers () const |
| ParticlesTemp | get_input_particles () const |
| virtual double | get_last_score () const |
| double | get_score () const |
| bool | get_was_good () const |
| void | set_weight (Float weight) |
| Float | get_weight () const |
| double | get_maximum_score () const |
| void | set_maximum_score (double s) |
| Public Member Functions inherited from IMP::kernel::ModelObject | |
| ModelObject (Model *m, std::string name) | |
| ModelObjectsTemp | get_inputs () const |
| ModelObjectsTemps | get_interactions () const |
| Model * | get_model () const |
| ModelObjectsTemp | get_outputs () 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 < RestraintSet > > | RestraintSetsTemp |
| Related Functions inherited from IMP::kernel::Restraint | |
| typedef IMP::base::Vector < IMP::base::WeakPointer < Restraint > > | RestraintsTemp |
| Related Functions inherited from IMP::kernel::ModelObject | |
| typedef IMP::base::Vector < IMP::base::WeakPointer < ModelObject > > | ModelObjectsTemp |
| Related Functions inherited from IMP::base::Object | |
| typedef IMP::base::Vector < IMP::base::WeakPointer < Object > > | ObjectsTemp |
Methods to control the nested Restraint objects | |
This container manages a set of Restraint objects. To manipulate the stored set use the methods below. | |
| void | remove_restraint (Restraint *d) |
| void | remove_restraints (const Restraints &d) |
| void | set_restraints (const Restraints &ps) |
| void | set_restraints_order (const Restraints &objs) |
| unsigned int | add_restraint (Restraint *obj) |
| void | add_restraints (const Restraints &objs) |
| void | clear_restraints () |
| unsigned int | get_number_of_restraints () const |
| bool | get_has_restraints () |
| Restraint * | get_restraint (unsigned int i) const |
| Restraints | get_restraints () const |
| void | reserve_restraints (unsigned int sz) |
Additional Inherited Members | |
| Protected Member Functions inherited from IMP::kernel::Restraint | |
| virtual void | do_add_score_and_derivatives (ScoreAccumulator sa) const |
| virtual Restraints | do_create_current_decomposition () const |
| virtual Restraints | do_create_decomposition () const |
| ModelObjectsTemp | do_get_outputs () const |
| virtual void | do_update_dependencies () |
Detailed Description
RestraintSets allow one to define a tree of restraints and to weight various restraints. Upon evaluation, all of the restraints in RestraintSets that have been added to the model are evaluated using the provided weight (weights are multiplicative when RestraintSets are nested).
If the weight is 0, the restraints are not evaluated.
- Note
- Restraints can belong to multiple RestraintSets. The total effect is simply one of adding up the weights.
- Advanced:
Talk to Daniel if you want to inherit from RestraintSet.
Definition at line 37 of file kernel/declare_RestraintSet.h.
Member Function Documentation
| std::pair<RestraintsTemp, RestraintSetsTemp> IMP::kernel::RestraintSet::get_non_sets_and_sets | ( | ) | const |
Divide the list of contained restraints into sets and non-sets.
Friends And Related Function Documentation
|
related |
Pass a set of objects.
Definition at line 72 of file kernel/base_types.h.
The documentation for this class was generated from the following files: