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IMP Reference Guide
2.6.1
The Integrative Modeling Platform
IMP Manual
Reference Guide
Modules
Classes
Examples
include
IMP
isd
LognormalRestraint.h
Go to the documentation of this file.
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/**
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* \file IMP/isd/LognormalRestraint.h
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* \brief A lognormal restraint that uses the ISPA model to model NOE-derived
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* distance fit.
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*
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* Copyright 2007-2016 IMP Inventors. All rights reserved.
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*
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*/
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#ifndef IMPISD_LOGNORMAL_RESTRAINT_H
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#define IMPISD_LOGNORMAL_RESTRAINT_H
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#include <IMP/isd/isd_config.h>
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#include <
IMP/Particle.h
>
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#include <
IMP/Restraint.h
>
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IMPISD_BEGIN_NAMESPACE
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//! Normal probability distribution as a restraint
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class
IMPISDEXPORT
LognormalRestraint
:
public
Restraint
{
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private
:
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Pointer<Particle>
px_;
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double
x_;
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Pointer<Particle>
pmu_;
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double
mu_;
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Pointer<Particle>
psigma_;
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double
sigma_;
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bool
isx_, ismu_, issigma_;
// true if it's a particle
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double
chi_;
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private
:
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void
set_chi(
double
chi) { chi_ = chi; }
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void
check_particles();
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public
:
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//! Gaussian restraint
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/** The restraint is a 3-particle restraint, linking together the mean,
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* observed value and variance, which can all be either Nuisances or doubles.
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* If F is the identity function, this is a gaussian (e.g. harmonic)
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* restraint.
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*/
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LognormalRestraint
(
Particle
*x,
Particle
*mu,
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Particle
*sigma);
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LognormalRestraint
(
double
x,
Particle
*mu,
Particle
*sigma);
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LognormalRestraint
(
Particle
*x,
double
mu,
Particle
*sigma);
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LognormalRestraint
(
Particle
*x,
Particle
*mu,
double
sigma);
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LognormalRestraint
(
double
x,
double
mu,
Particle
*sigma);
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LognormalRestraint
(
Particle
*x,
double
mu,
double
sigma);
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LognormalRestraint
(
double
x,
Particle
*mu,
double
sigma);
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/* call for probability */
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double
get_probability()
const
{
return
exp(-unprotected_evaluate(
nullptr
)); }
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double
get_chi()
const
{
return
chi_; }
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virtual
double
unprotected_evaluate(
IMP::DerivativeAccumulator
*accum)
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const
IMP_OVERRIDE
;
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virtual
IMP::ModelObjectsTemp
do_get_inputs
()
const
IMP_OVERRIDE
;
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IMP_OBJECT_METHODS
(
LognormalRestraint
);
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};
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IMPISD_END_NAMESPACE
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#endif
/* IMPISD_LOGNORMAL_RESTRAINT_H */
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
IMP::Vector
Definition:
Vector.h:42
IMP::Pointer
A smart pointer to a reference counted object.
Definition:
Pointer.h:87
Particle.h
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
IMP::Particle
Class to handle individual model particles.
Definition:
Particle.h:37
IMP::isd::LognormalRestraint
Normal probability distribution as a restraint.
Definition:
LognormalRestraint.h:20
Restraint.h
Abstract base class for all restraints.
IMP::ModelObject::do_get_inputs
virtual ModelObjectsTemp do_get_inputs() const =0
IMP_OVERRIDE
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
Definition:
compiler_macros.h:80
IMP::DerivativeAccumulator
Class for adding derivatives from restraints to the model.
Definition:
DerivativeAccumulator.h:25
IMP::Restraint
A restraint is a term in an IMP ScoringFunction.
Definition:
Restraint.h:52