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IMP Reference Guide  develop.83df1cabcf,2021/06/15
The Integrative Modeling Platform
IMP::core::MultipleBinormalRestraint Class Reference

Modeller-style multiple binormal (phi/psi) restraint. More...

#include <IMP/core/MultipleBinormalRestraint.h>

+ Inheritance diagram for IMP::core::MultipleBinormalRestraint:

Detailed Description

Modeller-style multiple binormal (phi/psi) restraint.

This implements a multiple binormal restraint on the two dihedral angles between the two quads of Particles passed to the restraint, by implementing equation A.77 in the Modeller manual. The two angles are typically the phi and psi dihedrals of a residue.

Definition at line 30 of file MultipleBinormalRestraint.h.

Public Member Functions

 MultipleBinormalRestraint (Model *m, const ParticleIndexQuad &q1, const ParticleIndexQuad &q2)
 Create the multiple binormal restraint. More...
 
void add_term (const BinormalTerm &term)
 Add a single BinormalTerm to the restraint. More...
 
virtual IMP::ModelObjectsTemp do_get_inputs () 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 RestraintInfoget_dynamic_info () const
 
virtual double get_last_score () const
 
double get_score () const
 
virtual RestraintInfoget_static_info () 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::core::MultipleBinormalRestraint::MultipleBinormalRestraint ( Model m,
const ParticleIndexQuad q1,
const ParticleIndexQuad q2 
)

Create the multiple binormal restraint.

After creating the restraint, call add_term one or more times to add BinormalTerms to the restraint.

Parameters
[in]mModel.
[in]q1First quad of particles.
[in]q2Second quad of particles.

Member Function Documentation

void IMP::core::MultipleBinormalRestraint::add_term ( const BinormalTerm term)

Add a single BinormalTerm to the restraint.

Definition at line 46 of file MultipleBinormalRestraint.h.

virtual IMP::ModelObjectsTemp IMP::core::MultipleBinormalRestraint::do_get_inputs ( ) const
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::ModelObject.

virtual ::IMP::VersionInfo IMP::core::MultipleBinormalRestraint::get_version_info ( ) const
virtual

Get information about the module and version of the object.

Reimplemented from IMP::Object.

Definition at line 51 of file MultipleBinormalRestraint.h.


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