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kernel/TripletScore.h
Go to the documentation of this file.
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/**
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* \file IMP/kernel/TripletScore.h
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* \brief Define TripletScore.
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*
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* WARNING This file was generated from TripletScore.h
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* in /tmp/nightly-build-90828/imp-2.2.1/tools/build/container_templates/kernel
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* by tools/maintenance/setup_containers.py.
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*
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* Copyright 2007-2014 IMP Inventors. All rights reserved.
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*/
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#ifndef IMPKERNEL_TRIPLET_SCORE_H
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#define IMPKERNEL_TRIPLET_SCORE_H
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#include <IMP/kernel/kernel_config.h>
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#include "
base_types.h
"
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#include "
ParticleTuple.h
"
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#include "
DerivativeAccumulator.h
"
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#include "internal/container_helpers.h"
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#include <
IMP/base/utility_macros.h
>
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#include "
model_object_helpers.h
"
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IMPKERNEL_BEGIN_NAMESPACE
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//! Abstract score function
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/** TripletScores will evaluate the score and derivatives
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for the passed particles. Use in conjunction with various
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restraints such as IMP::core::TripletsRestraint or
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IMP::core::TripletRestraint.
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Implementers should check out IMP_TRIPLET_SCORE().
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*/
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class
IMPKERNELEXPORT
TripletScore
:
public
ParticleInputs
,
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public
base::Object
{
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public
:
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typedef
kernel::ParticleTriplet
Argument
;
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typedef
kernel::ParticleIndexTriplet
IndexArgument
;
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typedef
const
kernel::ParticleTriplet
&
PassArgument
;
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typedef
const
kernel::ParticleIndexTriplet
&
PassIndexArgument
;
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typedef
TripletModifier
Modifier
;
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TripletScore
(std::string name =
"TripletScore %1%"
);
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//! Compute the score and the derivative if needed.
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/** \deprecated_at{2.1} Use the index-based evaluate instead. */
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IMPKERNEL_DEPRECATED_METHOD_DECL(2.1)
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virtual
double
evaluate(
const
kernel::ParticleTriplet
& vt,
DerivativeAccumulator
*da)
const
;
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//! Compute the score and the derivative if needed.
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virtual
double
evaluate_index(
kernel::Model
*m,
const
kernel::ParticleIndexTriplet
& vt,
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DerivativeAccumulator
*da)
const
;
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/** Implementations
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for these are provided by the IMP_TRIPLET_SCORE()
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macro.
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*/
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virtual
double
evaluate_indexes(
kernel::Model
*m,
const
kernel::ParticleIndexTriplets
&o,
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DerivativeAccumulator
*da,
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unsigned
int
lower_bound,
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unsigned
int
upper_bound)
const
;
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//! Compute the score and the derivative if needed.
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virtual
double
evaluate_if_good_index(
kernel::Model
*m,
const
kernel::ParticleIndexTriplet
& vt,
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DerivativeAccumulator
*da,
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double
max)
const
;
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/** Implementations
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for these are provided by the IMP_TRIPLET_SCORE()
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macro.
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*/
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virtual
double
evaluate_if_good_indexes(
kernel::Model
*m,
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const
kernel::ParticleIndexTriplets
&o,
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DerivativeAccumulator
*da,
double
max,
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unsigned
int
lower_bound,
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unsigned
int
upper_bound)
const
;
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/** Decompose this pair score acting on the pair into a set of
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restraints. The scoring function and derivatives should
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be equal to the current score. The defualt implementation
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just returns this object bound to the pair.*/
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Restraints
create_current_decomposition(
kernel::Model
*m,
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const
kernel::ParticleIndexTriplet
& vt)
const
;
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protected
:
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/** Overide this to return your own decomposition.*/
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virtual
Restraints
do_create_current_decomposition(
kernel::Model
*m,
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const
kernel::ParticleIndexTriplet
& vt)
const
;
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IMP_REF_COUNTED_DESTRUCTOR
(
TripletScore
);
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};
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IMPKERNEL_END_NAMESPACE
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#endif
/* IMPKERNEL_TRIPLET_SCORE_H */
DerivativeAccumulator.h
Class for adding derivatives from restraints to the model.
IMP::kernel::DerivativeAccumulator
Class for adding derivatives from restraints to the model.
Definition:
kernel/DerivativeAccumulator.h:25
IMP::kernel::TripletModifier
A base class for modifiers of kernel::ParticleTripletsTemp.
Definition:
kernel/TripletModifier.h:33
base_types.h
Basic types used by IMP.
IMP_REF_COUNTED_DESTRUCTOR
#define IMP_REF_COUNTED_DESTRUCTOR(Name)
Ref counted objects should have private destructors.
Definition:
base/ref_counted_macros.h:60
IMP::base::Vector< ParticleIndexTriplet >
model_object_helpers.h
Single variable function.
IMP::base::Array
A class to store an fixed array of same-typed values.
Definition:
base/Array.h:33
utility_macros.h
Various general useful macros for IMP.
IMP::kernel::ParticleInputs
Definition:
kernel/model_object_helpers.h:18
IMP::TripletScore
IMP::kernel::TripletScore TripletScore
Definition:
kernel/doxygen.h:248
IMP::base::Object
Common base class for heavy weight IMP objects.
Definition:
base/Object.h:106
ParticleTuple.h
Classes to handle individual model particles.
IMP::kernel::TripletScore
Abstract score function.
Definition:
kernel/TripletScore.h:33
IMP::kernel::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
kernel/Model.h:72