IMP  2.2.1
The Integrative Modeling Platform
RemoveTranslationOptimizerState.h
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1 /**
2  * \file IMP/atom/RemoveTranslationOptimizerState.h
3  * \brief Remove rigid translation during optimization.
4  *
5  * Copyright 2007-2014 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPATOM_REMOVE_TRANSLATION_OPTIMIZER_STATE_H
10 #define IMPATOM_REMOVE_TRANSLATION_OPTIMIZER_STATE_H
11 
12 #include <IMP/atom/atom_config.h>
13 #include <IMP/kernel/Particle.h>
14 #include <IMP/base_types.h>
15 #include <IMP/OptimizerState.h>
16 
17 IMPATOM_BEGIN_NAMESPACE
18 
19 //! Removes rigid translation from the particles.
20 /** Recenters the bunch of particles by putting the very first particle
21  at the origin and rigidly translating all the others.
22  */
23 class IMPATOMEXPORT RemoveTranslationOptimizerState : public OptimizerState {
24  public:
27 
28  //! Set the particles to use.
29  void set_particles(const kernel::Particles &pis) { pis_ = pis; }
30 
31  //! Remove translation now
32  void remove_translation() const;
33 
35 
36  protected:
37  virtual void do_update(unsigned int call) IMP_OVERRIDE;
38 
39  private:
40  kernel::Particles pis_;
41 };
42 
44 
45 IMPATOM_END_NAMESPACE
46 
47 #endif /* IMPATOM_REMOVE_TRANSLATION_OPTIMIZER_STATE_H */
Import IMP/kernel/base_types.h in the namespace.
virtual void do_update(unsigned int)
Shared optimizer state that is invoked upon commitment of new coordinates.
void set_particles(const kernel::Particles &pis)
Set the particles to use.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Classes to handle individual model particles.
#define IMP_OBJECTS(Name, PluralName)
Define the types for storing sets of objects.
Removes rigid translation from the particles.
Import IMP/kernel/OptimizerState.h in the namespace.
Class for storing model, its restraints, constraints, and particles.
Definition: kernel/Model.h:72