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IMP Reference Guide
develop.1a86c4215a,2024/04/24
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
include
IMP
pmi1
version 20240424.develop.1a86c4215a
SigmoidRestraintSphere.h
Go to the documentation of this file.
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/**
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* \file IMP/pmi1/SigmoidRestraintSphere.h
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* \brief Simple sigmoidal score calculated between sphere surfaces.
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*
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* Copyright 2007-2018 IMP Inventors. All rights reserved.
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*
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*/
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#ifndef IMPPMI1_SIGMOID_RESTRAINT_SPHERE_H
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#define IMPPMI1_SIGMOID_RESTRAINT_SPHERE_H
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#include "pmi1_config.h"
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#include <
IMP/Restraint.h
>
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#include <
IMP/particle_index.h
>
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IMPPMI1_BEGIN_NAMESPACE
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//! Simple sigmoidal score calculated between sphere surfaces.
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class
IMPPMI1EXPORT
SigmoidRestraintSphere
:
public
Restraint
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{
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IMP::ParticleIndex
p1_;
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IMP::ParticleIndex
p2_;
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double
inflection_;
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double
slope_;
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double
amplitude_;
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double
line_slope_;
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public
:
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//! Create the restraint.
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SigmoidRestraintSphere
(
IMP::Model
*m,
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IMP::ParticleIndexAdaptor
p1,
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IMP::ParticleIndexAdaptor
p2,
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double
inflection,
double
slope,
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double
amplitude,
double
line_slope_=0,
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std::string name=
"SigmoidRestraintSphere%1%"
);
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void
set_amplitude(
double
amplitude){amplitude_=amplitude;}
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void
increment_amplitude(
double
amplitude){amplitude_=amplitude_+amplitude;}
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double
get_amplitude(){
return
amplitude_;}
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virtual
double
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unprotected_evaluate
(
IMP::DerivativeAccumulator
*accum)
const override
;
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virtual
IMP::ModelObjectsTemp
do_get_inputs
()
const override
;
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IMP_OBJECT_METHODS
(
SigmoidRestraintSphere
);
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};
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IMPPMI1_END_NAMESPACE
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#endif
/* IMPPMI1_SIGMOID_RESTRAINT_SPHERE_H */
particle_index.h
Functions and adaptors for dealing with particle indexes.
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
IMP::ParticleIndexAdaptor
Take Decorator, Particle or ParticleIndex.
Definition:
particle_index.h:32
IMP::Index< ParticleIndexTag >
IMP::Restraint::unprotected_evaluate
virtual double unprotected_evaluate(DerivativeAccumulator *da) const
Return the unweighted score for the restraint.
IMP::Vector
A more IMP-like version of the std::vector.
Definition:
Vector.h:50
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
Model.h:86
IMP::pmi1::SigmoidRestraintSphere
Simple sigmoidal score calculated between sphere surfaces.
Definition:
SigmoidRestraintSphere.h:19
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