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IMP Reference Guide
develop.714915d50b,2024/12/07
The Integrative Modeling Platform
IMP Manual
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include
IMP
spb
version 20241207.develop.714915d50b
BoxedMover.h
Go to the documentation of this file.
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/**
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* \file IMP/spb/BoxedMover.h
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* \brief A mover that keeps a particle in a box
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*
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* Copyright 2007-2022 IMP Inventors. All rights reserved.
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*
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*/
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#ifndef IMPSPB_BOXED_MOVER_H
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#define IMPSPB_BOXED_MOVER_H
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#include <IMP/spb/spb_config.h>
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#include <
IMP/algebra/Vector3D.h
>
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#include <
IMP/core.h
>
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#include <
IMP/core/MonteCarloMover.h
>
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IMPSPB_BEGIN_NAMESPACE
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//! Move a particle and keep it in a box
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/** The transformation of a rigid body is moved in a ball of given
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size. The probability distribution is uniform over the ball.
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\see MonteCarlo
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*/
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class
IMPSPBEXPORT
BoxedMover
:
public
core::MonteCarloMover
{
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public
:
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/** The particle is moved within a (hexagonal or cubic) box
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\param[in] p is the particle
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\param[in] max_tr is the maximum translation during a step
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*/
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BoxedMover
(
Particle
*p,
Float
max_tr,
algebra::Vector3Ds
centers);
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protected
:
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virtual
core::MonteCarloMoverResult
do_propose
()
override
;
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virtual
void
do_reject
()
override
;
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virtual
IMP::ModelObjectsTemp
do_get_inputs
()
const override
;
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// IMP_MOVER(BoxedMover);
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IMP_OBJECT_METHODS
(
BoxedMover
);
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IMP_SHOWABLE
(
BoxedMover
);
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private
:
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Float
max_tr_;
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algebra::Vector3Ds
centers_;
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algebra::Vector3D
oldcoord_;
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Particle
*p_;
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};
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IMPSPB_END_NAMESPACE
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#endif
/* IMPSPB_BOXED_MOVER_H */
IMP::spb::BoxedMover
Move a particle and keep it in a box.
Definition:
BoxedMover.h:24
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition:
object_macros.h:25
core.h
Include all non-deprecated headers in IMP.core.
IMP_SHOWABLE
#define IMP_SHOWABLE(Name)
Definition:
showable_macros.h:41
IMP::core::MonteCarloMover::do_reject
virtual void do_reject()=0
Implement reset_proposed_move()
IMP::core::MonteCarloMoverResult
Return value of the MonteCarloMover::propose() function.
Definition:
MonteCarloMover.h:31
IMP::Vector< VectorD< 3 > >
IMP::core::MonteCarloMover
A base class for classes which perturb particles.
Definition:
MonteCarloMover.h:44
MonteCarloMover.h
The base class for movers for Monte Carlo optimization.
IMP::core::MonteCarloMover::do_propose
virtual MonteCarloMoverResult do_propose()=0
Implement propose_move()
IMP::algebra::Vector3D
VectorD< 3 > Vector3D
Definition:
VectorD.h:408
IMP::Float
double Float
Basic floating-point value (could be float, double...)
Definition:
types.h:19
Vector3D.h
Simple 3D vector class.
IMP::Particle
Class to handle individual particles of a Model object.
Definition:
Particle.h:43
IMP::ModelObject::do_get_inputs
virtual ModelObjectsTemp do_get_inputs() const =0