IMP  2.3.0
The Integrative Modeling Platform
IMP::atom::DopePairScore Class Reference

#include <IMP/atom/DopePairScore.h>

+ Inheritance diagram for IMP::atom::DopePairScore:

Detailed Description

Score pair of atoms based on DOPE.

See M.-y. Shen and A. Sali. Statistical potential for assessment and prediction of protein structures. Protein Science 15, 2507–2524, 2006.

DOPE should not be applied to two atoms from the same residue. You may need to use the SameResiduePairFilter to filter these out.

Definition at line 41 of file DopePairScore.h.

Public Member Functions

 DopePairScore (double threshold=std::numeric_limits< double >::max())
 
 DopePairScore (double threshold, base::TextInput data_file)
 
- Public Member Functions inherited from IMP::score_functor::DistancePairScore< score_functor::Dope >
 DistancePairScore (const DistanceScore &t0, std::string name="FunctorDistancePairScore %1%")
 
virtual kernel::ModelObjectsTemp do_get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const
 
double evaluate_if_good_indexes (kernel::Model *m, const kernel::ParticleIndexPairs &p, DerivativeAccumulator *da, double max, unsigned int lower_bound, unsigned int upper_bound) const
 
virtual double evaluate_index (kernel::Model *m, const kernel::ParticleIndexPair &pip, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed. More...
 
double evaluate_indexes (kernel::Model *m, const kernel::ParticleIndexPairs &p, DerivativeAccumulator *da, unsigned int lower_bound, unsigned int upper_bound) const
 Compute the score and the derivative if needed over a set. More...
 
score_functor::Dopeget_score_functor ()
 
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. More...
 
- Public Member Functions inherited from IMP::kernel::PairScore
 PairScore (std::string name="PairScore %1%")
 
Restraints create_current_decomposition (kernel::Model *m, const kernel::ParticleIndexPair &vt) const
 
virtual double evaluate (const kernel::ParticlePair &vt, DerivativeAccumulator *da) const
 Compute the score and the derivative if needed. More...
 
virtual double evaluate_if_good_index (kernel::Model *m, const kernel::ParticleIndexPair &vt, DerivativeAccumulator *da, double max) const
 Compute the score and the derivative if needed. More...
 
- Public Member Functions inherited from IMP::kernel::ParticleInputs
virtual ContainersTemp get_input_containers (Particle *p) const
 
virtual ParticlesTemp get_input_particles (Particle *p) const
 
ModelObjectsTemp get_inputs (kernel::Model *m, const ParticleIndexes &pis) const
 
- Public Member Functions inherited from IMP::base::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

- Public Types inherited from IMP::score_functor::DistancePairScore< score_functor::Dope >
typedef score_functor::Dope DistanceScore
 
- Public Types inherited from IMP::kernel::PairScore
typedef kernel::ParticlePair Argument
 
typedef kernel::ParticleIndexPair IndexArgument
 
typedef PairModifier Modifier
 
typedef const
kernel::ParticlePair
PassArgument
 
typedef const
kernel::ParticleIndexPair
PassIndexArgument
 
- Protected Member Functions inherited from IMP::kernel::PairScore
virtual Restraints do_create_current_decomposition (kernel::Model *m, const kernel::ParticleIndexPair &vt) const
 
- Protected Member Functions inherited from IMP::base::Object
 Object (std::string name)
 Construct an object with the given name. More...
 
virtual void do_destroy ()
 

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