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IMP Reference Guide
2.20.2
The Integrative Modeling Platform
IMP Manual
Reference Guide
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include
IMP
spb
version 2.20.2
TwoStateGoModelRestraint.h
Go to the documentation of this file.
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/**
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* \file IMP/spb/TwoStateGoModelRestraint.h
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* \brief Two-state Go-Model Restraint
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*
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* Copyright 2007-2022 IMP Inventors. All rights reserved.
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*/
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#ifndef IMPSPB_TWO_STATE_GO_MODEL_RESTRAINT_H
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#define IMPSPB_TWO_STATE_GO_MODEL_RESTRAINT_H
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#include "
IMP/Restraint.h
"
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#include <IMP/spb/spb_config.h>
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#include <
IMP/Particle.h
>
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#include <
IMP/base_types.h
>
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#include <map>
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#include <string>
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IMPSPB_BEGIN_NAMESPACE
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//! Two-state Go-Model Restraint
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class
IMPSPBEXPORT
TwoStateGoModelRestraint
:
public
Restraint
{
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private
:
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Particles
ps_;
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Float
Beta_;
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Float
DeltaV_;
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std::map<IntPair, Float> native_attrA_;
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std::map<IntPair, Float> native_attrB_;
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void
set_parameters(
Particles
psA,
Particles
psB,
Float
cutoff);
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double
get_contribution(
Float
dist,
Float
dist0)
const
;
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double
get_native_potential(
const
std::map<IntPair, Float>& native)
const
;
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public
:
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TwoStateGoModelRestraint
(
Particles
ps,
Particles
psA,
Particles
psB,
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Float
Beta,
Float
Delta,
Float
Cutoff);
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virtual
double
unprotected_evaluate
(
IMP::DerivativeAccumulator
* accum)
const
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override
;
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virtual
IMP::ModelObjectsTemp
do_get_inputs
()
const override
;
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// IMP_RESTRAINT(TwoStateGoModelRestraint);
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IMP_OBJECT_METHODS
(
TwoStateGoModelRestraint
);
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};
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IMPSPB_END_NAMESPACE
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#endif
/* IMPSPB_TWO_STATE_GO_MODEL_RESTRAINT_H */
base_types.h
Basic types used by IMP.
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
IMP::Restraint::unprotected_evaluate
virtual double unprotected_evaluate(DerivativeAccumulator *da) const
Return the unweighted score for the restraint.
IMP::Vector< Pointer< Particle > >
Particle.h
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
IMP::Float
double Float
Basic floating-point value (could be float, double...)
Definition:
types.h:19
Restraint.h
Abstract base class for all restraints.
IMP::spb::TwoStateGoModelRestraint
Two-state Go-Model Restraint.
Definition:
TwoStateGoModelRestraint.h:21
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