IMP::score_functor::OrientedSoap Class Reference

Orientation-dependent SOAP score. More...

#include <IMP/score_functor/OrientedSoap.h>

Inheritance diagram for IMP::score_functor::OrientedSoap:

Public Member Functions
	OrientedSoap (std::string library)
	Constructor. More...
double	get_distance_threshold () const
kernel::ModelObjectsTemp	get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const
template<unsigned int D>
bool	get_is_trivially_zero (kernel::Model *, const base::Array< D, kernel::ParticleIndex > &, double squared_distance) const
template<unsigned int D>
double	get_maximum_range (kernel::Model *, const base::Array< D, kernel::ParticleIndex > &) const
template<unsigned int D>
double	get_score (kernel::Model *m, const base::Array< D, kernel::ParticleIndex > &pis, double distance) const
template<unsigned int D>
DerivativePair	get_score_and_derivative (kernel::Model *m, const base::Array< D, kernel::ParticleIndex > &pis, double distance) const
Public Member Functions inherited from IMP::score_functor::Score
kernel::ModelObjectsTemp	get_inputs (kernel::Model *m, const kernel::ParticleIndexes &pis) const
template<unsigned int D>
bool	get_is_trivially_zero (kernel::Model *m, const base::Array< D, kernel::ParticleIndex > &p, double squared_distance) const
template<unsigned int D>
double	get_maximum_range (kernel::Model *m, const base::Array< D, kernel::ParticleIndex > &p) const
template<unsigned int D>
double	get_score (kernel::Model *m, const base::Array< D, kernel::ParticleIndex > &p, double distance) const
template<unsigned int D>
DerivativePair	get_score_and_derivative (kernel::Model *m, const base::Array< D, kernel::ParticleIndex > &p, double distance) const
void	show (std::ostream &) const

Detailed Description

Orientation-dependent SOAP 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 http://salilab.org/SOAP/.

Definition at line 28 of file OrientedSoap.h.

Constructor & Destructor Documentation

IMP::score_functor::OrientedSoap::OrientedSoap

(

std::string

library

)

Parameters

[in]

library

The HDF5 file containing the SOAP library.

Definition at line 66 of file OrientedSoap.h.

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

• OrientedSoap.h