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IMP Reference Guide
develop.63b38c487d,2024/12/21
The Integrative Modeling Platform
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Orientation-dependent SOAP score. More...
#include <IMP/score_functor/OrientedSoap.h>
Inheritance diagram for IMP::score_functor::OrientedSoap: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... | |
| void | check_cache_valid (Model *m) const |
| double | get_distance_threshold () const |
| ModelObjectsTemp | get_inputs (Model *m, const ParticleIndexes &pis) const |
| template<unsigned int D> | |
| bool | get_is_trivially_zero_with_cache (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> | |
| DerivativePair | get_score_and_derivative_with_cache (Model *m, const Array< D, ParticleIndex > &pis, double distance) const |
| template<unsigned int D> | |
| double | get_score_with_cache (Model *m, const Array< D, ParticleIndex > &pis, double distance) const |
| Public Member Functions inherited from IMP::score_functor::ScoreWithCache | |
| void | check_cache_valid (Model *m) const |
| Make sure the cache is up to date. More... | |
| ModelObjectsTemp | get_inputs (Model *m, const ParticleIndexes &pis) const |
| template<unsigned int D> | |
| bool | get_is_trivially_zero_with_cache (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> | |
| DerivativePair | get_score_and_derivative_with_cache (Model *m, const Array< D, ParticleIndex > &p, double distance) const |
| Return the score and derivative at the passed feature size (eg distance). More... | |
| template<unsigned int D> | |
| double | get_score_with_cache (Model *m, const Array< D, ParticleIndex > &p, double distance) const |
| Return the score at the passed feature size (eg distance). More... | |
| void | show (std::ostream &) const |
| IMP::score_functor::OrientedSoap::OrientedSoap | ( | std::string | library | ) |
Constructor.
| [in] | library | The HDF5 file containing the SOAP library. |
Definition at line 66 of file OrientedSoap.h.