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Container used to hold a set of restraints.
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.
Talk to Daniel if you want to inherit from RestraintSet.
Examples: optimize em2d with montecarlo, dock with crosslinks, analyze convergence, optimize balls
Inheritance diagram for IMP::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. | |
| ContainersTemp | get_input_containers () const |
| ParticlesTemp | get_input_particles () const |
| std::pair< RestraintsTemp, RestraintSetsTemp > | get_non_sets_and_sets () const |
| double | unprotected_evaluate (DerivativeAccumulator *accum) const |
| double | unprotected_evaluate_if_below (DerivativeAccumulator *accum, double max) const |
| double | unprotected_evaluate_if_good (DerivativeAccumulator *accum, double max) const |
| Public Member Functions inherited from IMP::Restraint | |
| Restraint (Model *m, std::string name) | |
| Restraint * | create_current_decomposition () const |
| Decompose this restraint into constituent terms for the current conf. | |
| Restraint * | create_decomposition () const |
| Decompose this restraint into constituent terms. | |
| double | evaluate (bool calc_derivs) const |
| Return the score for this restraint for the current state of the model. | |
| double | evaluate_if_below (bool calc_derivatives, double max) const |
| See Model::evaluate_with_maximum() | |
| double | evaluate_if_good (bool calc_derivatives) const |
| See Model::evaluate_if_good() | |
| double | get_last_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::ModelObject | |
| ModelObject (Model *m, std::string name) | |
| ModelObjectsTemp | get_inputs () const |
| Model * | get_model () const |
| ModelObjectsTemp | get_outputs () const |
| Public Member Functions inherited from IMP::base::Object | |
| std::size_t | __hash__ () const |
| virtual std::string | get_type_name () const =0 |
| Return a string identifying the type of the object. | |
| 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. | |
| 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) |
Static Public Member Functions | |
| static RestraintSet * | get_from (IMP::base::Object *o) |
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) |
| template<class F > | |
| void | remove_restraints_if (const F &f) |
| template<class List > | |
| void | remove_restraints (List d) |
| template<class List > | |
| void | set_restraints (List ps) |
| template<class List > | |
| void | set_restraints_order (List ps) |
| unsigned int | add_restraint (Restraint *obj) |
| template<class List > | |
| void | add_restraints (List objs) |
| void | clear_restraints () |
| unsigned int | get_number_of_restraints () const |
| bool | get_has_restraints () const |
| Restraint * | get_restraint (unsigned int i) const |
| Restraints | get_restraints () const |
| void | reserve_restraints (unsigned int sz) |
| RestraintIterator | restraints_begin () |
| RestraintIterator | restraints_end () |
| RestraintConstIterator | restraints_begin () const |
| RestraintConstIterator | restraints_end () const |
Additional Inherited Members | |
| Protected Member Functions inherited from IMP::Restraint | |
| virtual Restraints | do_create_current_decomposition () const |
| virtual Restraints | do_create_decomposition () const |
| Protected Member Functions inherited from IMP::ModelObject | |
| virtual ModelObjectsTemp | do_get_inputs () const =0 |
| virtual ModelObjectsTemp | do_get_outputs () const =0 |
| virtual void | do_update_dependencies (const DependencyGraph &, const DependencyGraphVertexIndex &) |
| void | update_dependencies (const DependencyGraph &dg, const DependencyGraphVertexIndex &index) |
| Protected Member Functions inherited from IMP::base::Object | |
| Object (std::string name) | |
| IMP::RestraintSet::RestraintSet | ( | Model * | m, |
| double | weight, | ||
| const std::string & | name = "RestraintSet %1%" |
||
| ) |
Create an empty set that is registered with the model.
| std::pair<RestraintsTemp, RestraintSetsTemp> IMP::RestraintSet::get_non_sets_and_sets | ( | ) | const |
Divide the list of contained restraints into sets and non-sets.
|
virtual |
Return the unweighted score for the restraint.
Implements IMP::Restraint.
|
virtual |
The function calling this will treat any score >= max as bad.
Reimplemented from IMP::Restraint.
|
virtual |
The function calling this will treat any score >= get_maximum_score as bad and so can return early as soon as such a situation is found.
Reimplemented from IMP::Restraint.
