IMP logo
IMP Reference Guide  2.5.0
The Integrative Modeling Platform
IMP::isd::MarginalHBondRestraint Class Reference

Apply a lognormal distance restraint between two particles. More...

#include <IMP/isd/MarginalHBondRestraint.h>

+ Inheritance diagram for IMP::isd::MarginalHBondRestraint:

Detailed Description

Apply a lognormal distance restraint between two particles.

Marginal of the lognormal model for NOEs where only \(\sigma\) was marginalized, and \(\gamma\) was set to 1. Since the restraint is complicated, pass individual particles to add_contribution() command.

\[p(D|X,I) = \left(\sum_{i=1}^N \log^2\left(\frac{V_i^{exp}} {d_i^{-6}(X)}\right)\right)^{-\frac{N}{2}} \]

Definition at line 30 of file MarginalHBondRestraint.h.

Public Member Functions

 MarginalHBondRestraint (Model *m)
 Create the restraint. More...
void add_contribution (Particle *p1, Particle *p2, double Iexp)
void add_contribution (PairContainer *pc, double Iexp)
virtual IMP::ModelObjectsTemp do_get_inputs () const
double get_logsquares () const
unsigned get_number_of_contributions () const
double get_probability () 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...
virtual double unprotected_evaluate (IMP::DerivativeAccumulator *accum) 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...
Restraintcreate_current_decomposition () const
 Decompose this restraint into constituent terms for the current conf. More...
Restraintcreate_decomposition () const
 Decompose this restraint into constituent terms. More...
virtual ScoringFunctioncreate_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::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...
Modelget_model () const
ModelObjectsTemp get_outputs () const
const ScoreStatesTempget_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)

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 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 ()

Constructor & Destructor Documentation

IMP::isd::MarginalHBondRestraint::MarginalHBondRestraint ( Model m)

Create the restraint.

Restraints should store the particles they are to act on, preferably in a Singleton or PairContainer as appropriate.

Definition at line 41 of file MarginalHBondRestraint.h.

Member Function Documentation

virtual IMP::ModelObjectsTemp IMP::isd::MarginalHBondRestraint::do_get_inputs ( ) const

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::ModelObject.

virtual ::IMP::VersionInfo IMP::isd::MarginalHBondRestraint::get_version_info ( ) const

Get information about the module and version of the object.

Reimplemented from IMP::Object.

Definition at line 64 of file MarginalHBondRestraint.h.

virtual double IMP::isd::MarginalHBondRestraint::unprotected_evaluate ( IMP::DerivativeAccumulator accum) const

This macro declares the basic needed methods: evaluate and show

The documentation for this class was generated from the following file: