IMP  2.2.1
The Integrative Modeling Platform
IMP::modeller::MultipleBinormalRestraint Class Reference

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

#include <IMP/modeller/MultipleBinormalRestraint.h>

+ Inheritance diagram for IMP::modeller::MultipleBinormalRestraint:

Public Member Functions

 MultipleBinormalRestraint (const kernel::ParticleQuad &q1, const kernel::ParticleQuad &q2)
 Create the multiple binormal restraint. More...
 
void add_term (const BinormalTerm &term)
 Add a single BinormalTerm to the restraint.
 
virtual
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.
 
virtual double unprotected_evaluate (IMP::kernel::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
 
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
 
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.
 
bool get_has_required_score_states () const
 
ModelObjectsTemp get_inputs () const
 
ModelObjectsTemps get_interactions () const
 
Modelget_model () const
 
ModelObjectsTemp get_outputs () const
 
const ScoreStatesTempget_required_score_states () const
 
void set_has_dependencies (bool tf)
 
void set_has_required_score_states (bool tf)
 
- Public Member Functions inherited from IMP::base::Object
virtual void clear_caches ()
 
virtual void do_destroy ()
 
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...
 

Detailed Description

This implements a multiple binormal restraint on the two dihedral angles between the two quads of kernel::Particles passed to the restraint, by implementing equation A.76 in the Modeller manual. The two angles are typically the phi and psi dihedrals of a residue.

Definition at line 32 of file MultipleBinormalRestraint.h.

Constructor & Destructor Documentation

IMP::modeller::MultipleBinormalRestraint::MultipleBinormalRestraint ( const kernel::ParticleQuad q1,
const kernel::ParticleQuad q2 
)

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

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

Member Function Documentation

virtual IMP::kernel::ModelObjectsTemp IMP::modeller::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::kernel::ModelObject.


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