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IMP Reference Guide  develop.671b0bd9ab,2020/09/24
The Integrative Modeling Platform
IMP::isd::GaussianAnchorEMRestraint Class Reference

Restraint between two sets of anchor points "model" and "EM density". More...

#include <IMP/isd/GaussianAnchorEMRestraint.h>

+ Inheritance diagram for IMP::isd::GaussianAnchorEMRestraint:

Detailed Description

Restraint between two sets of anchor points "model" and "EM density".

This class is obsolete - use GaussianEMRestraint instead. It exists solely to support older applications of IMP that used this method.

Definition at line 27 of file GaussianAnchorEMRestraint.h.

Public Member Functions

 GaussianAnchorEMRestraint (ParticlesTemp model_ps, Floats model_sigs, Floats model_weights, ParticlesTemp density_ps, Floats density_sigs, Floats density_weights, Particle *global_sigma, Float cutoff_dist, bool rigid, bool tabexp, std::string name="GaussianAnchorEMRestraint%1%")
 Constructor. More...
virtual IMP::ModelObjectsTemp do_get_inputs () const
ParticlesTemp get_density_particles () 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::isd::ISDRestraint
 ISDRestraint (Model *m, std::string name)
 Create the restraint. More...
- 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)

Protected Member Functions

Float calc_prefactor (Float s1, Float w1, Float s2, Float w2) const
Float calc_prod (Float s1, Float s2) const
Float calc_score (Float dist, Float prod) const
- 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 ()

Protected Attributes

double argmax_
Float cutoff_dist_
Float dd_score_
Particles density_ps_
Floats density_sigs_
Floats density_weights_
size_t dsize_
Floats exp_grid_
Float init_mm_score_
double invdx_
< container::CloseBipartitePairContainer
std::map< ParticlePair, Floatmd_prefactors_
std::map< ParticlePair, Floatmd_prods_
std::map< ParticlePair, Floatmm_prefactors_
std::map< ParticlePair, Floatmm_prods_
Particles model_ps_
Floats model_sigs_
Floats model_weights_
size_t msize_
bool rigid_
bool tabexp_

Constructor & Destructor Documentation

IMP::isd::GaussianAnchorEMRestraint::GaussianAnchorEMRestraint ( ParticlesTemp  model_ps,
Floats  model_sigs,
Floats  model_weights,
ParticlesTemp  density_ps,
Floats  density_sigs,
Floats  density_weights,
Particle global_sigma,
Float  cutoff_dist,
bool  rigid,
bool  tabexp,
std::string  name = "GaussianAnchorEMRestraint%1%" 


[in]model_psparticles for the model GMM
[in]model_sigssigmas for the model GMM (currently spherically symmetric)
[in]model_weightsweights for the model GMM
[in]density_psparticles for the density GMM
[in]density_sigssigmas for the density GMM (currently spherically symmetric)
[in]density_weightsweights for the density GMM
[in]global_sigmaParticle to modulate the uncertainty
[in]rigidSet to true if the model is rigid (faster)

Definition at line 43 of file GaussianAnchorEMRestraint.h.

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Member Function Documentation

virtual IMP::ModelObjectsTemp IMP::isd::GaussianAnchorEMRestraint::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.

Reimplemented from IMP::isd::ISDRestraint.

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

Get information about the module and version of the object.

Reimplemented from IMP::isd::ISDRestraint.

Definition at line 148 of file GaussianAnchorEMRestraint.h.

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