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IMP Reference Guide  2.20.2
The Integrative Modeling Platform
DihedralMover.h
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1 /**
2  * \file IMP/kinematics/DihedralMover.h
3  * \brief A modifier which perturbs a point with a normal distribution.
4  *
5  * Copyright 2007-2017 IMP Inventors. All rights reserved.
6  *
7  */
8 
9 #ifndef IMPKINEMATICS_DIHEDRAL_MOVER_H
10 #define IMPKINEMATICS_DIHEDRAL_MOVER_H
11 
12 #include <IMP/kinematics/kinematics_config.h>
15 
16 IMPKINEMATICS_BEGIN_NAMESPACE
17 
18 //! Modify a set of joints using a normal distribution
19 /** The normal distribution has a zero mean and the given standard deviation.
20  \see MonteCarlo
21  */
22 class IMPKINEMATICSEXPORT DihedralMover : public core::MonteCarloMover {
24  Float max_rot_;
25  Floats originals_;
26 
27  public:
29  const kinematics::RevoluteJoints& joints,
30  const double max_rot=0.1);
31 
32  protected:
33  virtual ModelObjectsTemp do_get_inputs() const override;
34  virtual core::MonteCarloMoverResult do_propose() override;
35  virtual void do_reject() override;
37 };
38 
39 IMPKINEMATICS_END_NAMESPACE
40 
41 #endif /* IMPKINEMATICS_DIHEDRAL_MOVER_H */
Modify a set of joints using a normal distribution.
Definition: DihedralMover.h:22
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
virtual void do_reject()=0
Implement reset_proposed_move()
Return value of the MonteCarloMover::propose() function.
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:86
A base class for classes which perturb particles.
The base class for movers for Monte Carlo optimization.
virtual MonteCarloMoverResult do_propose()=0
Implement propose_move()
double Float
Basic floating-point value (could be float, double...)
Definition: types.h:19
functionality for defining various revolute kinematic joints between rigid bodies as part of a kinema...
virtual ModelObjectsTemp do_get_inputs() const =0