IMP logo
IMP Reference Guide  2.13.0
The Integrative Modeling Platform
IMP::score_functor::OrientedSoap Class Reference

Orientation-dependent SOAP score. More...

#include <IMP/score_functor/OrientedSoap.h>

+ Inheritance diagram for IMP::score_functor::OrientedSoap:

Detailed Description

Orientation-dependent SOAP score.

Such scores include those that score loops (SOAP-Loop), protein-peptide interfaces (SOAP-Peptide) and proteins (SOAP-Protein). The library files themselves, such as soap_loop.hdf5 or soap_protein_od.hdf5, are rather large (~1.5GB) and so are not included here. They can be downloaded separately from https://salilab.org/SOAP/.

Definition at line 28 of file OrientedSoap.h.

Public Member Functions

 OrientedSoap (std::string library)
 Constructor. More...
 
double get_distance_threshold () const
 
ModelObjectsTemp get_inputs (Model *m, const ParticleIndexes &pis) const
 
template<unsigned int D>
bool get_is_trivially_zero (Model *, const Array< D, ParticleIndex > &, double squared_distance) const
 
template<unsigned int D>
double get_maximum_range (Model *, const Array< D, ParticleIndex > &) const
 
template<unsigned int D>
double get_score (Model *m, const Array< D, ParticleIndex > &pis, double distance) const
 
template<unsigned int D>
DerivativePair get_score_and_derivative (Model *m, const Array< D, ParticleIndex > &pis, double distance) const
 
- Public Member Functions inherited from IMP::score_functor::Score
ModelObjectsTemp get_inputs (Model *m, const ParticleIndexes &pis) const
 
template<unsigned int D>
bool get_is_trivially_zero (Model *m, const Array< D, ParticleIndex > &p, double squared_distance) const
 
template<unsigned int D>
double get_maximum_range (Model *m, const Array< D, ParticleIndex > &p) const
 
template<unsigned int D>
double get_score (Model *m, const Array< D, ParticleIndex > &p, double distance) const
 Return the score at the passed feature size (eg distance). More...
 
template<unsigned int D>
DerivativePair get_score_and_derivative (Model *m, const Array< D, ParticleIndex > &p, double distance) const
 Return the score and derivative at the passed feature size (eg distance). More...
 
void show (std::ostream &) const
 

Constructor & Destructor Documentation

IMP::score_functor::OrientedSoap::OrientedSoap ( std::string  library)

Constructor.

Parameters
[in]libraryThe HDF5 file containing the SOAP library.

Definition at line 66 of file OrientedSoap.h.


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