IMP  2.0.0
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:

Public Member Functions

 MarginalHBondRestraint ()
 Create the restraint. More...
 
void add_contribution (Particle *p1, Particle *p2, double Iexp)
 
void add_contribution (PairContainer *pc, double Iexp)
 
virtual void do_show (std::ostream &out) const
 
double get_logsquares () const
 
unsigned get_number_of_contributions () const
 
double get_probability () const
 
- Public Member Functions inherited from IMP::isd::ISDRestraint
 ISDRestraint (std::string name)
 
- Public Member Functions inherited from IMP::kernel::Restraint
 Restraint (Model *m, std::string name)
 
void add_score_and_derivatives (ScoreAccumulator sa) const
 
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
 
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
 
Modelget_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)
 

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

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 31 of file MarginalHBondRestraint.h.

Constructor & Destructor Documentation

IMP::isd::MarginalHBondRestraint::MarginalHBondRestraint ( )

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

Definition at line 43 of file MarginalHBondRestraint.h.

Member Function Documentation

virtual void IMP::isd::MarginalHBondRestraint::do_show ( std::ostream &  out) const
virtual

This macro declares the basic needed methods: evaluate and show


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