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IMP Reference Guide
2.20.0
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
include
IMP
em2d
version 2.20.0
DummyRestraint.h
Go to the documentation of this file.
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/**
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* \file IMP/em2d/DummyRestraint.h
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* \brief
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*
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* Copyright 2007-2022 IMP Inventors. All rights reserved.
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*
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*/
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#ifndef IMPEM2D_DUMMY_RESTRAINT_H
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#define IMPEM2D_DUMMY_RESTRAINT_H
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#include <IMP/em2d/em2d_config.h>
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#include "
IMP/log.h
"
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#include <
IMP/Restraint.h
>
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#include "
IMP/Pointer.h
"
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#include <
IMP/Restraint.h
>
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#include <
IMP/log.h
>
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#include <
IMP/SingletonContainer.h
>
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IMPEM2D_BEGIN_NAMESPACE
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//! Dummy restraint between two particles
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/*!
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The restraint does do anything and returns 0 as a value. Use this
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restraint to force two particles to be considered by DOMINO as belonging
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to a restraint. This trick can be useful when building the merge tree for
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DOMINO, as can add branches that consider pairs of particles before entire
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subsets.
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NOTE: Using this restraint for DOMINO requires a fairly good knowledge of
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the works of merge trees.
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*/
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class
IMPEM2DEXPORT
DummyRestraint
:
public
Restraint
{
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Pointer<Particle>
p0_;
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Pointer<Particle>
p1_;
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public
:
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/**
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* Inits the dummy restraint between the particles
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* @param p First particle
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* @param q Second particle
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*/
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DummyRestraint
(
IMP::Particle
*p,
IMP::Particle
*q)
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:
Restraint
(p->get_model(),
"DummyRestraint%1%"
) {
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p0_ = p;
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p1_ = q;
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}
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/**
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* Shows information about the class
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* @param out Stream used to show the information
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*/
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void
show
(std::ostream &out = std::cout)
const
{
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out <<
"Dummy Restraint"
<< std::endl;
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}
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virtual
double
unprotected_evaluate
(
IMP::DerivativeAccumulator
*accum)
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const override
;
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virtual
IMP::ModelObjectsTemp
do_get_inputs
()
const override
;
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IMP_OBJECT_METHODS
(
DummyRestraint
);
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};
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IMP_OBJECTS
(
DummyRestraint
,
DummyRestraints
);
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//! Dummy restraint for a set of particles. Same use as DummyRestraint
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class
IMPEM2DEXPORT
ParticlesDummyRestraint
:
public
Restraint
{
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Pointer<SingletonContainer>
container_;
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public
:
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/**
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* Sets a dummy restraint for a set of particles
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* @param sc Must contain all the particles that are going to be restrained
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*/
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ParticlesDummyRestraint
(
SingletonContainer
*sc)
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:
Restraint
(sc->get_model(),
"ParticlesDummyRestraint%1%"
) {
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container_ = sc;
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}
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/**
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* Shows information about the class
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* @param out Stream used to show the information
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*/
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void
show
(std::ostream &out = std::cout)
const
{
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out <<
"ParticlesDummyRestraint"
<< std::endl;
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}
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virtual
double
unprotected_evaluate
(
IMP::DerivativeAccumulator
*accum)
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const override
;
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virtual
IMP::ModelObjectsTemp
do_get_inputs
()
const override
;
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IMP_OBJECT_METHODS
(
ParticlesDummyRestraint
);
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};
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IMP_OBJECTS
(
ParticlesDummyRestraint
,
ParticlesDummyRestraints
);
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IMPEM2D_END_NAMESPACE
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#endif
/* IMPEM2D_DUMMY_RESTRAINT_H */
SingletonContainer.h
A container for Singletons.
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
IMP::Restraint::unprotected_evaluate
virtual double unprotected_evaluate(DerivativeAccumulator *da) const
Return the unweighted score for the restraint.
IMP::em2d::DummyRestraint::DummyRestraint
DummyRestraint(IMP::Particle *p, IMP::Particle *q)
Definition:
DummyRestraint.h:43
IMP::em2d::ParticlesDummyRestraint
Dummy restraint for a set of particles. Same use as DummyRestraint.
Definition:
DummyRestraint.h:65
IMP::Vector
A more IMP-like version of the std::vector.
Definition:
Vector.h:42
IMP::Pointer
A smart pointer to a reference counted object.
Definition:
Pointer.h:87
IMP::em2d::DummyRestraint::show
void show(std::ostream &out=std::cout) const
Definition:
DummyRestraint.h:53
IMP::SingletonContainer
A shared container for Singletons.
Definition:
SingletonContainer.h:39
IMP::em2d::DummyRestraint
Dummy restraint between two particles.
Definition:
DummyRestraint.h:33
IMP_OBJECTS
#define IMP_OBJECTS(Name, PluralName)
Define the types for storing lists of object pointers.
Definition:
object_macros.h:44
IMP::em2d::ParticlesDummyRestraint::show
void show(std::ostream &out=std::cout) const
Definition:
DummyRestraint.h:82
Pointer.h
A nullptr-initialized pointer to an IMP Object.
IMP::em2d::ParticlesDummyRestraint::ParticlesDummyRestraint
ParticlesDummyRestraint(SingletonContainer *sc)
Definition:
DummyRestraint.h:73
IMP::Particle
Class to handle individual particles of a Model object.
Definition:
Particle.h:43
Restraint.h
Abstract base class for all restraints.
log.h
Logging and error reporting support.
IMP::ModelObject::do_get_inputs
virtual ModelObjectsTemp do_get_inputs() const =0
IMP::DerivativeAccumulator
Class for adding derivatives from restraints to the model.
Definition:
DerivativeAccumulator.h:24
IMP::Restraint
A restraint is a term in an IMP ScoringFunction.
Definition:
Restraint.h:56