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IMP Reference Guide
2.17.0
The Integrative Modeling Platform
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Restraint between two sets of anchor points "model" and "EM density". More...
#include <IMP/isd/GaussianAnchorEMRestraint.h>
Inheritance diagram for IMP::isd::GaussianAnchorEMRestraint:Restraint between two sets of anchor points "model" and "EM density".
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 override |
| ParticlesTemp | get_density_particles () const |
| double | get_probability () const override |
| virtual std::string | get_type_name () const override |
| virtual ::IMP::VersionInfo | get_version_info () const override |
| Get information about the module and version of the object. More... | |
| virtual double | unprotected_evaluate (IMP::DerivativeAccumulator *accum) const override |
| Return the unweighted score for the restraint. More... | |
| 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) | |
| Restraint * | create_current_decomposition () const |
| Decompose this restraint into constituent terms for the current conf. More... | |
| Restraint * | create_decomposition () const |
| Decompose this restraint into constituent terms. More... | |
| virtual ScoringFunction * | create_scoring_function (double weight=1.0, double max=NO_MAX) const |
| Create a scoring function with only this restraint. More... | |
| virtual RestraintInfo * | get_dynamic_info () const |
| virtual double | get_last_last_score () const |
| Get the unweighted score from the last-but-one time it was evaluated. More... | |
| virtual double | get_last_score () const |
| double | get_score () const |
| virtual RestraintInfo * | get_static_info () const |
| bool | get_was_good () const |
| virtual double | unprotected_evaluate_moved (DerivativeAccumulator *da, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis) const |
| Return the unweighted score, taking moving particles into account. More... | |
| virtual double | unprotected_evaluate_if_good (DerivativeAccumulator *da, double max) const |
| virtual double | unprotected_evaluate_if_below (DerivativeAccumulator *da, double max) const |
| The function calling this will treat any score >= max as bad. More... | |
| virtual double | unprotected_evaluate_moved_if_below (DerivativeAccumulator *da, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis, double max) const |
| virtual double | unprotected_evaluate_moved_if_good (DerivativeAccumulator *da, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis, double max) 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... | |
| Model * | get_model () const |
| ModelObjectsTemp | get_outputs () const |
| const ScoreStatesTemp & | get_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 |
| virtual void | do_add_score_and_derivatives_moved (ScoreAccumulator sa, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis) const |
| virtual Restraints | do_create_current_decomposition () const |
| virtual Restraints | do_create_decomposition () const |
| ModelObjectsTemp | do_get_outputs () const override |
| 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_ |
| Particle * | global_sigma_ |
| Float | init_mm_score_ |
| double | invdx_ |
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PointerMember < container::CloseBipartitePairContainer > | md_container_ |
| std::map< ParticlePair, Float > | md_prefactors_ |
| std::map< ParticlePair, Float > | md_prods_ |
| std::map< ParticlePair, Float > | mm_prefactors_ |
| std::map< ParticlePair, Float > | mm_prods_ |
| Particles | model_ps_ |
| Floats | model_sigs_ |
| Floats | model_weights_ |
| size_t | msize_ |
| bool | rigid_ |
| bool | tabexp_ |
| 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%" |
||
| ) |
Constructor.
| [in] | model_ps | particles for the model GMM |
| [in] | model_sigs | sigmas for the model GMM (currently spherically symmetric) |
| [in] | model_weights | weights for the model GMM |
| [in] | density_ps | particles for the density GMM |
| [in] | density_sigs | sigmas for the density GMM (currently spherically symmetric) |
| [in] | density_weights | weights for the density GMM |
| [in] | global_sigma | Particle to modulate the uncertainty |
| [in] | rigid | Set to true if the model is rigid (faster) |
Definition at line 43 of file GaussianAnchorEMRestraint.h.
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overridevirtual |
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.
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overridevirtual |
Get information about the module and version of the object.
Reimplemented from IMP::isd::ISDRestraint.
Definition at line 148 of file GaussianAnchorEMRestraint.h.
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overridevirtual |
Return the unweighted score for the restraint.
Reimplemented from IMP::isd::ISDRestraint.