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IMP Reference Guide
2.7.0
The Integrative Modeling Platform
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Object used to hold a set of restraints. More...
#include "IMP/RestraintSet.h"
Inheritance diagram for IMP::RestraintSet:Object 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.
Definition at line 36 of file RestraintSet.h.
Public Member Functions | |
| RestraintSet (Model *m, double weight, const std::string &name="RestraintSet %1%") | |
| Create an empty set that is registered with the model. More... | |
| RestraintSet (Model *m, const std::string &name="RestraintSet %1%") | |
| Create an empty set that is registered with the model. More... | |
| RestraintSet (const RestraintsTemp &rs, double weight, const std::string &name="RestraintSet %1%") | |
| Create a set that is registered with the model. More... | |
| double | get_last_score () const |
| std::pair< RestraintsTemp, RestraintSetsTemp > | get_non_sets_and_sets () const |
| virtual std::string | get_type_name () const |
| virtual ::IMP::VersionInfo | get_version_info () const |
| Get information about the module and version of the object. More... | |
| double | unprotected_evaluate (DerivativeAccumulator *da) const |
| Public Member Functions inherited from IMP::Restraint | |
| Restraint (Model *m, std::string name) | |
| void | add_score_and_derivatives (ScoreAccumulator sa) const |
| Perform the actual restraint scoring. More... | |
| 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 |
| Create a scoring function with only this restraint. More... | |
| 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::ModelObject | |
| ModelObject (Model *m, std::string name) | |
| bool | get_has_dependencies () const |
| Return whether this object has dependencies computed. More... | |
| bool | get_has_required_score_states () const |
| Return whether score states are computed. More... | |
| ModelObjectsTemp | get_inputs () const |
| ModelObjectsTemps | get_interactions () const |
| Get the interacting sets induced by this ModelObject. More... | |
| Model * | get_model () const |
| ModelObjectsTemp | get_outputs () const |
| const ScoreStatesTemp & | get_required_score_states () const |
| Get the score states that are ancestors of this in the dependency graph. More... | |
| void | set_has_dependencies (bool tf) |
| Either invalidate the dependencies or ensure they are correct. More... | |
| void | set_has_required_score_states (bool tf) |
| Compute the required score states. More... | |
| Public Member Functions inherited from IMP::Object | |
| virtual void | clear_caches () |
| 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) |
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::Restraint | |
| virtual void | do_add_score_and_derivatives (ScoreAccumulator sa) const |
| A restraint should override this to compute the score and derivatives. More... | |
| virtual Restraints | do_create_current_decomposition () const |
| virtual Restraints | do_create_decomposition () const |
| ModelObjectsTemp | do_get_outputs () const |
| Protected Member Functions inherited from IMP::ModelObject | |
| virtual ModelObjectsTemp | do_get_inputs () const =0 |
| virtual ModelObjectsTemps | do_get_interactions () const |
| virtual void | handle_set_has_required_score_states (bool) |
| Protected Member Functions inherited from IMP::Object | |
| Object (std::string name) | |
| Construct an object with the given name. More... | |
| virtual void | do_destroy () |
| IMP::RestraintSet::RestraintSet | ( | Model * | m, |
| double | weight, | ||
| const std::string & | name = "RestraintSet %1%" |
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| ) |
Create an empty set that is registered with the model.
| IMP::RestraintSet::RestraintSet | ( | Model * | m, |
| const std::string & | name = "RestraintSet %1%" |
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| ) |
Create an empty set that is registered with the model.
| IMP::RestraintSet::RestraintSet | ( | const RestraintsTemp & | rs, |
| double | weight, | ||
| const std::string & | name = "RestraintSet %1%" |
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| ) |
Create a set that is registered with the model.
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virtual |
Return the (unweighted) score for this restraint last time it was evaluated.
Reimplemented from IMP::Restraint.
| std::pair<RestraintsTemp, RestraintSetsTemp> IMP::RestraintSet::get_non_sets_and_sets | ( | ) | const |
Divide the list of contained restraints into sets and non-sets.
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virtual |
Get information about the module and version of the object.
Reimplemented from IMP::Object.
Definition at line 53 of file RestraintSet.h.
