IMP
2.2.0
The Integrative Modeling Platform
|
Calculate score based on fit to EM map. More...
#include <IMP/em/EnvelopePenetrationRestraint.h>
Public Member Functions | |
EnvelopePenetrationRestraint (kernel::Particles ps, DensityMap *em_map, Float threshold) | |
Constructor. More... | |
unsigned int | add_particle (kernel::Particle *obj) |
void | add_particles (const kernel::Particles &objs) |
void | clear_particles () |
virtual IMP::kernel::ModelObjectsTemp | do_get_inputs () const |
bool | get_has_particles () |
unsigned int | get_number_of_particles () const |
kernel::Particle * | get_particle (unsigned int i) const |
kernel::Particles | get_particles () 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. | |
void | remove_particle (kernel::Particle *d) |
void | remove_particles (const kernel::Particles &d) |
void | reserve_particles (unsigned int sz) |
void | set_particles (const kernel::Particles &ps) |
void | set_particles_order (const kernel::Particles &objs) |
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 |
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 |
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 |
Model * | get_model () const |
ModelObjectsTemp | get_outputs () const |
const ScoreStatesTemp & | get_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... | |
Definition at line 28 of file EnvelopePenetrationRestraint.h.
IMP::em::EnvelopePenetrationRestraint::EnvelopePenetrationRestraint | ( | kernel::Particles | ps, |
DensityMap * | em_map, | ||
Float | threshold | ||
) |
[in] | ps | The particles participating in the fitting score |
[in] | em_map | The density map used in the fitting score |
[in] | threshold |
|
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.