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IMP Reference Guide
2.14.0
The Integrative Modeling Platform
IMP Manual
Reference Guide
Tutorial Index
Modules
Classes
Examples
include
IMP
core
version 2.14.0
DihedralRestraint.h
Go to the documentation of this file.
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/**
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* \file IMP/core/DihedralRestraint.h
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* \brief Dihedral restraint between four particles.
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*
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* Copyright 2007-2020 IMP Inventors. All rights reserved.
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*
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*/
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#ifndef IMPCORE_DIHEDRAL_RESTRAINT_H
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#define IMPCORE_DIHEDRAL_RESTRAINT_H
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#include <IMP/core/core_config.h>
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#include <
IMP/UnaryFunction.h
>
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#include <
IMP/Restraint.h
>
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#include <
IMP/Particle.h
>
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#include <
IMP/generic.h
>
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IMPCORE_BEGIN_NAMESPACE
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//! Dihedral restraint between four particles
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class
IMPCOREEXPORT
DihedralRestraint
:
public
Restraint
{
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public
:
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//! Create the dihedral restraint.
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/** \param[in] m Model.
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\param[in] score_func Scoring function for the restraint.
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\param[in] p1 First particle in dihedral restraint.
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\param[in] p2 Second particle in dihedral restraint.
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\param[in] p3 Third particle in dihedral restraint.
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\param[in] p4 Fourth particle in dihedral restraint.
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*/
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DihedralRestraint
(
Model
*m,
UnaryFunction
* score_func,
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ParticleIndexAdaptor
p1,
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ParticleIndexAdaptor
p2,
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ParticleIndexAdaptor
p3,
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ParticleIndexAdaptor
p4);
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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
(
DihedralRestraint
);
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private
:
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IMP::PointerMember<UnaryFunction>
score_func_;
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ParticleIndex
p_[4];
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};
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IMPCORE_END_NAMESPACE
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#endif
/* IMPCORE_DIHEDRAL_RESTRAINT_H */
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
IMP::ParticleIndexAdaptor
Definition:
particle_index.h:32
UnaryFunction.h
Single variable function.
IMP::Index< ParticleIndexTag >
IMP::core::DihedralRestraint
Dihedral restraint between four particles.
Definition:
DihedralRestraint.h:22
IMP::Vector
A more IMP-like version of the std::vector.
Definition:
Vector.h:39
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition:
Model.h:72
IMP::PointerMember
A smart pointer to a ref-counted Object that is a class member.
Definition:
Pointer.h:146
Particle.h
Classes to handle individual model particles. (Note that implementation of inline functions is in int...
Restraint.h
Abstract base class for all restraints.
IMP::UnaryFunction
Abstract single variable functor class for score functions.
Definition:
UnaryFunction.h:25
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:78
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:54
generic.h
Various important functionality for implementing decorators.