IMP  2.0.0
The Integrative Modeling Platform
ExampleComplexRestraint.h
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1 /**
2  * \file IMP/example/ExampleComplexRestraint.h
3  * \brief A restraint to maintain the diameter of a set of points
4  *
5  * Copyright 2007-2013 IMP Inventors. All rights reserved.
6  */
7 
8 #ifndef IMPEXAMPLE_EXAMPLE_COMPLEX_RESTRAINT_H
9 #define IMPEXAMPLE_EXAMPLE_COMPLEX_RESTRAINT_H
10 
11 #include <IMP/example/example_config.h>
12 
13 #include <IMP/PairContainer.h>
14 #include <IMP/SingletonContainer.h>
15 #include <IMP/Restraint.h>
16 #include <IMP/restraint_macros.h>
17 #include <IMP/ScoreState.h>
18 #include <IMP/UnaryFunction.h>
19 
20 IMPEXAMPLE_BEGIN_NAMESPACE
21 
22 //! Restrain the diameter of a set of points
23 /** This restraint shows how to write a restraint that includes
24  a ScoreState which is needed to compute some invariant.
25 
26  \note Be sure to check out the swig wrapper file and how it
27  wraps this class.
28 
29  The source code is as follows:
30  \include ExampleComplexRestraint.h
31  \include ExampleComplexRestraint.cpp
32 
33 */
34 class IMPEXAMPLEEXPORT ExampleComplexRestraint: public Restraint
35 {
36  Pointer<ScoreState> ss_;
37  Pointer<Particle> p_;
38  Float diameter_;
39  Pointer<SingletonContainer> sc_;
40  Pointer<UnaryFunction> f_;
41  FloatKey dr_;
42 public:
43  //! Use f to restrain particles in sc to be within diameter of one another
44  /** f should have a minimum at 0 and be an upper bound-style function.
45  */
46  ExampleComplexRestraint(UnaryFunction *f,
47  SingletonContainer *sc, Float diameter);
48 
49  IMP_RESTRAINT(ExampleComplexRestraint);
50 
51  void set_model(Model *m);
52 };
53 
54 
55 IMPEXAMPLE_END_NAMESPACE
56 
57 #endif /* IMPEXAMPLE_EXAMPLE_COMPLEX_RESTRAINT_H */