IMP
2.4.0
The Integrative Modeling Platform
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Score based on the min or max PairScore over a set. More...
#include <IMP/container/MinimumPairRestraint.h>
Score based on the min or max PairScore over a set.
The score is evaluated for each of the VALUETYPE in the container and the value of the min or max n scores is used. That is, if n is 1, the value of the restraint is the value of the min or max score over the container.
Definition at line 28 of file MinimumPairRestraint.h.
Public Member Functions | |
MinimumPairRestraint (PairScore *f, PairContainerAdaptor c, unsigned int n=1, std::string name="MinimumPairRestraint %1%") | |
IMP::kernel::ModelObjectsTemp | do_get_inputs () const |
virtual std::string | get_type_name () const |
virtual ::IMP::base::VersionInfo | get_version_info () const |
Get information about the module and version of the object. More... | |
void | set_n (unsigned int n) |
Set the number of lowest scores to use. More... | |
double | unprotected_evaluate (IMP::DerivativeAccumulator *accum) const |
Public Member Functions inherited from IMP::kernel::Restraint | |
Restraint (kernel::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... | |
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 (kernel::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::base::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) |
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 |
Protected Member Functions inherited from IMP::kernel::ModelObject | |
virtual ModelObjectsTemps | do_get_interactions () const |
virtual void | handle_set_has_required_score_states (bool) |
Protected Member Functions inherited from IMP::base::Object | |
Object (std::string name) | |
Construct an object with the given name. More... | |
virtual void | do_destroy () |
IMP::container::MinimumPairRestraint::MinimumPairRestraint | ( | PairScore * | f, |
PairContainerAdaptor | c, | ||
unsigned int | n = 1 , |
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std::string | name = "MinimumPairRestraint %1%" |
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n is the number of LCMinimum scores to use.
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virtual |
Get any Particle, Container or other ModelObjects read by this during evaluation. If you read everything in a container, you can just return that container.
Implements IMP::kernel::ModelObject.
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virtual |
Get information about the module and version of the object.
Reimplemented from IMP::base::Object.
Definition at line 44 of file MinimumPairRestraint.h.
void IMP::container::MinimumPairRestraint::set_n | ( | unsigned int | n | ) |
Set the number of lowest scores to use.
Definition at line 48 of file MinimumPairRestraint.h.