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IMP Reference Guide
develop.36b5e40f34,2024/10/14
The Integrative Modeling Platform
IMP Manual
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include
IMP
score_functor
version 20241014.develop.36b5e40f34
ScoreWithCache.h
Go to the documentation of this file.
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/**
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* \file IMP/score_functor/ScoreWithCache.h
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* \brief A Score on the distance between a pair of particles, with cache.
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*
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* Copyright 2007-2022 IMP Inventors. All rights reserved.
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*/
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#ifndef IMPSCORE_FUNCTOR_SCORE_WITH_CACHE_H
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#define IMPSCORE_FUNCTOR_SCORE_WITH_CACHE_H
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#include <IMP/score_functor/score_functor_config.h>
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#include <
IMP/base_types.h
>
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#include <
IMP/particle_index.h
>
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#include <
IMP/warning_macros.h
>
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#include <
IMP/Particle.h
>
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#include <limits>
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IMPSCOREFUNCTOR_BEGIN_NAMESPACE
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//! A cached functor for computing a distance based score for D particles.
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/** This is similar to Score but requires callers to call check_cache_valid()
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in any scoring function evaluation before any of the methods that use
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the cache. */
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struct
ScoreWithCache
{
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// swig gets confused otherwise
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ScoreWithCache
() {}
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#ifdef IMP_DOXYGEN
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//! Make sure the cache is up to date.
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/** This must be called in any scoring function evaluation before any
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of the methods that use the cache. */
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void
check_cache_valid(
Model
*m)
const
;
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//! Return the score at the passed feature size (eg distance).
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/** The involved particle indexes are passed along.
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\pre get_is_trivially_zero_with_cache() or get_maximum_range() has
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been called and get_is_trivially_zero_with_cache() is false.
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*/
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template
<
unsigned
int
D>
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double
get_score_with_cache(
Model
*m,
const
Array<D, ParticleIndex>
&p,
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double
distance)
const
;
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//! Return the score and derivative at the passed feature size (eg distance).
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/** The derivative is for the feature decreasing.
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\pre get_is_trivially_zero_with_cache() or get_maximum_range() has
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been called and get_is_trivially_zero_with_cache() is false.
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*/
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template
<
unsigned
int
D>
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DerivativePair
get_score_and_derivative_with_cache(
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Model
*m,
const
Array<D, ParticleIndex>
&p,
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double
distance)
const
;
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#endif
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/** Return true if the function can be easily determined to be zero at the
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passed squared distance. The default implementation provided here
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returns false.
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\note That it is squared distance, not distance.
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*/
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template
<
unsigned
int
D>
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bool
get_is_trivially_zero_with_cache
(
Model
*m,
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const
Array<D, ParticleIndex>
&p,
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double
squared_distance)
const
{
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IMP_UNUSED
(m);
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IMP_UNUSED
(p);
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IMP_UNUSED
(squared_distance);
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return
false
;
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}
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/** Return an upper bound on the distance at which the score can be
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non-zero. The default implementation provided here returns infinity. */
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template
<
unsigned
int
D>
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double
get_maximum_range
(
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Model
*m,
const
Array<D, ParticleIndex>
&p)
const
{
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IMP_UNUSED
(m);
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IMP_UNUSED
(p);
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return
std::numeric_limits<double>::infinity();
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}
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/** Return the set of particles read when particle p is part of the passed
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tuples. The default implementation provided here just returns the list
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containing p. */
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ModelObjectsTemp
get_inputs
(
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Model
*m,
const
ParticleIndexes
&pis)
const
{
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return
IMP::get_particles
(m, pis);
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}
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void
show
(std::ostream &)
const
{}
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};
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IMPSCOREFUNCTOR_END_NAMESPACE
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#endif
/* IMPSCORE_FUNCTOR_SCORE_WITH_CACHE_H */
IMP::score_functor::ScoreWithCache::get_maximum_range
double get_maximum_range(Model *m, const Array< D, ParticleIndex > &p) const
Definition:
ScoreWithCache.h:73
base_types.h
Basic types used by IMP.
particle_index.h
Functions and adaptors for dealing with particle indexes.
IMP::Array
A class to store a fixed array of same-typed values.
Definition:
Array.h:40
IMP::get_particles
ParticlesTemp get_particles(Model *m, const ParticleIndexes &ps)
Get the particles from a list of indexes.
IMP::score_functor::ScoreWithCache
A cached functor for computing a distance based score for D particles.
Definition:
ScoreWithCache.h:24
IMP::Vector
A more IMP-like version of the std::vector.
Definition:
Vector.h:50
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
Model.h:86
IMP::score_functor::ScoreWithCache::get_is_trivially_zero_with_cache
bool get_is_trivially_zero_with_cache(Model *m, const Array< D, ParticleIndex > &p, double squared_distance) const
Definition:
ScoreWithCache.h:62
warning_macros.h
Macros to control compiler warnings.
IMP_UNUSED
#define IMP_UNUSED(variable)
Definition:
warning_macros.h:25
IMP::DerivativePair
std::pair< double, double > DerivativePair
A pair representing a function value with its first derivative.
Definition:
types.h:22
Particle.h
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
IMP::core::show
std::ostream & show(Hierarchy h, std::ostream &out=std::cout)
Print the hierarchy using a given decorator to display each node.
Definition:
core/Hierarchy.h:423
IMP::score_functor::ScoreWithCache::get_inputs
ModelObjectsTemp get_inputs(Model *m, const ParticleIndexes &pis) const
Definition:
ScoreWithCache.h:82