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IMP Reference Guide
2.20.2
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
include
IMP
isd
version 2.20.2
AmbiguousRestraint.h
Go to the documentation of this file.
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/**
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* \file IMP/isd/AmbiguousRestraint.h
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* \brief An implementation of the d-norm to make an ambiguous restraint.
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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 IMPISD_AMBIGUOUS_RESTRAINT_H
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#define IMPISD_AMBIGUOUS_RESTRAINT_H
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#include <IMP/isd/isd_config.h>
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#include <
IMP/Restraint.h
>
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#include <
IMP/Particle.h
>
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#include <
IMP/generic.h
>
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IMPISD_BEGIN_NAMESPACE
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//! Apply an ambiguous restraint by computing the d-norm.
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// d is an integer.
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// If d>0, behaves like an "and" function.
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// If d<0, behaves like an "or" function.
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// Limits are fuzzy "and" (min) and fuzzy "or" (max) when d is infinite.
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/*
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The source code is as follows:
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\include AmbiguousRestraint.h
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\include AmbiguousRestraint.cpp
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*/
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class
IMPISDEXPORT
AmbiguousRestraint
:
public
Restraint
{
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int
d_;
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Restraints
rs_;
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friend
class
cereal::access;
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template
<
class
Archive>
void
serialize(Archive &ar) {
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ar(cereal::base_class<Restraint>(
this
), d_, rs_);
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}
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IMP_OBJECT_SERIALIZE_DECL
(
AmbiguousRestraint
);
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public
:
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//! Create the restraint.
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/** Two ways to call it: pass it two restraints, or a list of restraints.
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*/
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AmbiguousRestraint
(
Model
*m,
int
d,
Restraint
*r0,
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Restraint
*r1);
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AmbiguousRestraint
(
Model
*m,
int
d,
Restraints
rs);
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AmbiguousRestraint
() {}
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double
get_probability()
const
{
return
exp(-
unprotected_evaluate
(
nullptr
)); }
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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
(
AmbiguousRestraint
);
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};
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IMPISD_END_NAMESPACE
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#endif
/* IMPISD_AMBIGUOUS_RESTRAINT_H */
IMP::isd::AmbiguousRestraint
Apply an ambiguous restraint by computing the d-norm.
Definition:
AmbiguousRestraint.h:29
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::Vector< IMP::Pointer< Restraint > >
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
Model.h:86
IMP_OBJECT_SERIALIZE_DECL
#define IMP_OBJECT_SERIALIZE_DECL(Name)
Declare methods needed for serialization of Object pointers.
Definition:
object_macros.h:95
Particle.h
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
Restraint.h
Abstract base class for all restraints.
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
generic.h
Compile-time generic restraint and constraint support.