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DistanceRestraint.h
Go to the documentation of this file.
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/**
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* \file IMP/core/DistanceRestraint.h
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* \brief Distance restraint between two particles.
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*
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* Copyright 2007-2013 IMP Inventors. All rights reserved.
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*
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*/
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#ifndef IMPCORE_DISTANCE_RESTRAINT_H
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#define IMPCORE_DISTANCE_RESTRAINT_H
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#include <IMP/core/core_config.h>
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#include "
DistancePairScore.h
"
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#include "
XYZ.h
"
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#include <
IMP/generic.h
>
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#include <
IMP/Restraint.h
>
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#include <iostream>
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IMPCORE_BEGIN_NAMESPACE
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//! Distance restraint between two particles
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/**
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\note If the particles are closer than a certain distance, then
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the contributions to the derivatives are set to 0.
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\see PairRestraint
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\see DistancePairScore
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\see SphereDistancePairScore
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*/
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class
IMPCOREEXPORT
DistanceRestraint
:
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#if defined(SWIG) || defined(IMP_DOXYGEN)
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public
Restraint
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#else
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public
IMP::internal::TupleRestraint<DistancePairScore>
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#endif
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{
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public
:
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//! Create the distance restraint.
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/** \param[in] score_func Scoring function for the restraint.
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\param[in] a Pointer to first particle in distance restraint.
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\param[in] b Pointer to second particle in distance restraint.
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*/
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DistanceRestraint
(
UnaryFunction
* score_func,
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Particle
*a,
Particle
*b);
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#ifdef SWIG
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protected
:
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double
unprotected_evaluate(
IMP::DerivativeAccumulator
*accum)
const
;
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IMP::ModelObjectsTemp
do_get_inputs
()
const
;
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IMP_OBJECT_METHODS
(
DistanceRestraint
);
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#endif
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};
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IMPCORE_END_NAMESPACE
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#endif
/* IMPCORE_DISTANCE_RESTRAINT_H */