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IMP Reference Guide  develop.18ca3ba1ae,2021/02/28
The Integrative Modeling Platform
spb/ISDRestraint.h
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1 /**
2  * \file IMP/spb/ISDRestraint.h
3  * \brief A lognormal restraint that uses the ISPA model to model NOE-derived
4  * distance fit.
5  *
6  * Copyright 2007-2021 IMP Inventors. All rights reserved.
7  *
8  */
9 
10 #ifndef IMPSPB_ISD_RESTRAINT_H
11 #define IMPSPB_ISD_RESTRAINT_H
12 
13 #include <IMP/PairContainer.h>
14 #include <IMP/PairScore.h>
15 #include <IMP/Restraint.h>
16 #include <IMP/SingletonScore.h>
17 #include <IMP/core/XYZ.h>
18 #include <string>
19 #include "spb_config.h"
20 
21 IMPSPB_BEGIN_NAMESPACE
22 
23 //! Apply an NOE distance restraint between two particles.
24 /** \note Be sure to check out the swig wrapper file and how it
25  wraps this class.
26 
27  The source code is as follows:
28  \include ISDRestraint.h
29 */
30 class IMPSPBEXPORT ISDRestraint : public Restraint {
31  public:
32  // ISDRestraint() : Restraint() {}
33  // ISDRestraint(std::string name) : Restraint(name) {}
34  ISDRestraint(Model *mdl, std::string name) : Restraint(mdl, name) {}
35 
36  /* call for probability, pure method */
37  virtual double get_probability() const = 0;
38 };
39 
40 IMPSPB_END_NAMESPACE
41 
42 #endif /* IMPSPB_ISD_RESTRAINT_H */
Restraint(Model *m, std::string name)
Simple XYZ decorator.
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:72
A container for Pairs.
Define PairScore.
Define SingletonScore.
Abstract base class for all restraints.
Apply an NOE distance restraint between two particles.
A restraint is a term in an IMP ScoringFunction.
Definition: Restraint.h:54