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RepulsiveDistancePairScore.h
Go to the documentation of this file.
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/**
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* \file IMP/isd/RepulsiveDistancePairScore.h
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* \brief A simple quadric repulsive term between two atoms. Restraint is zero
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* when the distance equals the sum of the radii plus the shift.
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*
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* Copyright 2007-2013 IMP Inventors. All rights reserved.
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*/
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#ifndef IMPISD_REPULSIVE_DISTANCE_PAIR_SCORE_H
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#define IMPISD_REPULSIVE_DISTANCE_PAIR_SCORE_H
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#include <IMP/isd/isd_config.h>
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#include <
IMP/core/XYZR.h
>
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#include <
IMP/PairScore.h
>
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#include <
IMP/Pointer.h
>
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#include <
IMP/generic.h
>
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IMPISD_BEGIN_NAMESPACE
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//! A repulsive potential on the distance between two atoms
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/** \see XYZR
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\see SphereDistancePairScore
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\see DistancePairScore
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\see LennardJonesPairScore
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*/
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class
IMPISDEXPORT
RepulsiveDistancePairScore
:
public
PairScore
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{
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double
x0_, k_;
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public
:
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RepulsiveDistancePairScore
(
double
d0,
double
k);
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double
get_rest_length()
const
{
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return
x0_;
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}
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double
get_stiffness()
const
{
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return
k_;
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}
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IMP_SIMPLE_PAIR_SCORE
(
RepulsiveDistancePairScore
);
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};
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IMP_OBJECTS
(
RepulsiveDistancePairScore
,
RepulsiveDistancePairScores
);
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IMPISD_END_NAMESPACE
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#endif
/* IMPISD_REPULSIVE_DISTANCE_PAIR_SCORE_H */