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IMP Reference Guide  2.14.0
The Integrative Modeling Platform
version 2.14.0
isd/ISDRestraint.h
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1 /**
2  * \file IMP/isd/ISDRestraint.h
3  *
4  * Copyright 2007-2020 IMP Inventors. All rights reserved.
5  *
6  */
7 
8 #ifndef IMPISD_ISD_RESTRAINT_H
9 #define IMPISD_ISD_RESTRAINT_H
10 
11 #include "isd_config.h"
12 #include <IMP/ScoringFunction.h>
13 #include <IMP/Restraint.h>
14 #include <string>
15 
16 IMPISD_BEGIN_NAMESPACE
17 
18 //! A base class for ISD Restraints.
19 class IMPISDEXPORT ISDRestraint : public Restraint {
20  public:
21  //! Create the restraint.
22  /** Restraints should store the particles they are to act on,
23  preferably in a Singleton or PairContainer as appropriate.
24  */
25  ISDRestraint(Model *m, std::string name);
26 
27  virtual double get_probability() const;
28 
29  virtual double unprotected_evaluate(DerivativeAccumulator *accum) const
30  IMP_OVERRIDE;
31 
32  virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
33 
34  IMP_OBJECT_METHODS(ISDRestraint);
35 };
36 
37 IMP_OBJECTS(ISDRestraint, ISDRestraints);
38 
39 IMPISD_END_NAMESPACE
40 
41 #endif /* IMPISD_ISD_RESTRAINT_H */
IMP::isd::ISDRestraint
A base class for ISD Restraints.
Definition: isd/ISDRestraint.h:19
IMP_OBJECT_METHODS
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
IMP::Vector
A more IMP-like version of the std::vector.
Definition: Vector.h:39
IMP::Model
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:72
IMP_OBJECTS
#define IMP_OBJECTS(Name, PluralName)
Define the types for storing lists of object pointers.
Definition: object_macros.h:44
ScoringFunction.h
Represents a scoring function on the model.
Restraint.h
Abstract base class for all restraints.
IMP::ModelObject::do_get_inputs
virtual ModelObjectsTemp do_get_inputs() const =0
IMP_OVERRIDE
#define IMP_OVERRIDE
Cause a compile error if this method does not override a parent method.
Definition: compiler_macros.h:78
IMP::DerivativeAccumulator
Class for adding derivatives from restraints to the model.
Definition: DerivativeAccumulator.h:25
IMP::Restraint
A restraint is a term in an IMP ScoringFunction.
Definition: Restraint.h:54