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saxs/RadiusOfGyrationRestraint.h
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/**
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* \file IMP/saxs/RadiusOfGyrationRestraint.h
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* \brief Calculate score based on fit to SAXS profile.
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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 IMPSAXS_RADIUS_OF_GYRATION_RESTRAINT_H
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#define IMPSAXS_RADIUS_OF_GYRATION_RESTRAINT_H
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#include <IMP/saxs/saxs_config.h>
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#include <
IMP/saxs/Profile.h
>
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#include <
IMP/Model.h
>
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#include <
IMP/Restraint.h
>
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#include <
IMP/VersionInfo.h
>
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IMPSAXS_BEGIN_NAMESPACE
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//! Calculate score based on radius of gyration, taken from saxs profile
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/** \ingroup exp_restraint
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*/
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class
IMPSAXSEXPORT
RadiusOfGyrationRestraint
:
public
IMP::Restraint
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{
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public
:
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//! Constructor
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/**
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\param[in] particles The particles participating in the fitting score
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\param[in] exp_profile The experimental profile used in the fitting score
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*/
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RadiusOfGyrationRestraint
(
const
Particles& particles,
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const
Profile
& exp_profile,
const
double
end_q_rg=1.3);
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IMP_RESTRAINT
(
RadiusOfGyrationRestraint
);
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private
:
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Particles particles_;
// non-rigid bodies particles
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double
exp_rg_;
//radius of gyration from experimental profile
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};
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IMPSAXS_END_NAMESPACE
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#endif
/* IMPSAXS_RADIUS_OF_GYRATION_RESTRAINT_H */