IMP  2.0.0
The Integrative Modeling Platform
optimizing.h
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1 /**
2  * \file IMP/example/optimizing.h
3  * \brief A simple unary function.
4  *
5  * Copyright 2007-2013 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPEXAMPLE_OPTIMIZING_H
10 #define IMPEXAMPLE_OPTIMIZING_H
11 
12 #include <IMP/example/example_config.h>
13 #include <IMP/log.h>
14 #include <IMP/base_types.h>
15 #include <IMP/base/enums.h>
16 #include <IMP/core/Mover.h>
17 #include <IMP/base/enums.h>
18 
19 IMPEXAMPLE_BEGIN_NAMESPACE
20 /** Create a serial mover from a list of core::XYZR particles.
21  */
22 IMPEXAMPLEEXPORT core::MonteCarloMover*
23 create_serial_mover(const ParticlesTemp &ps);
24 
25 
26 /** Take a set of core::XYZR particles and relax them relative to a set of
27  restraints. Excluded volume is handle separately, so don't include it
28  in the passed list of restraints.
29 
30  \include optimize_balls.cpp
31 */
32 IMPEXAMPLEEXPORT void optimize_balls(const ParticlesTemp &ps,
33  const RestraintsTemp &rs=RestraintsTemp(),
34  const PairPredicates &excluded
35  =PairPredicates(),
36  const OptimizerStates &opt_states
37  =OptimizerStates(),
39 
40 IMPEXAMPLE_END_NAMESPACE
41 
42 #endif /* IMPEXAMPLE_OPTIMIZING_H */