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optimizing.h
Go to the documentation of this file.
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/**
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* \file IMP/example/optimizing.h
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* \brief A simple unary function.
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*
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* Copyright 2007-2013 IMP Inventors. All rights reserved.
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*
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*/
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#ifndef IMPEXAMPLE_OPTIMIZING_H
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#define IMPEXAMPLE_OPTIMIZING_H
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#include <IMP/example/example_config.h>
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#include <
IMP/log.h
>
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#include <
IMP/base_types.h
>
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#include <
IMP/base/enums.h
>
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#include <
IMP/core/Mover.h
>
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#include <
IMP/base/enums.h
>
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IMPEXAMPLE_BEGIN_NAMESPACE
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/** Create a serial mover from a list of core::XYZR particles.
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*/
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IMPEXAMPLEEXPORT core::MonteCarloMover*
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create_serial_mover
(
const
ParticlesTemp &ps);
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/** Take a set of core::XYZR particles and relax them relative to a set of
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restraints. Excluded volume is handle separately, so don't include it
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in the passed list of restraints.
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\include optimize_balls.cpp
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*/
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IMPEXAMPLEEXPORT
void
optimize_balls
(
const
ParticlesTemp &ps,
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const
RestraintsTemp
&rs=
RestraintsTemp
(),
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const
PairPredicates
&excluded
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=
PairPredicates
(),
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const
OptimizerStates
&opt_states
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=
OptimizerStates
(),
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base::LogLevel
ll=
base::DEFAULT
);
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IMPEXAMPLE_END_NAMESPACE
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#endif
/* IMPEXAMPLE_OPTIMIZING_H */