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IMP Reference Guide  2.20.0
The Integrative Modeling Platform
SameResiduePairFilter.h
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1 /**
2  * \file IMP/atom/SameResiduePairFilter.h
3  * \brief Filter out atoms that belong to the same residue.
4  *
5  * Copyright 2007-2022 IMP Inventors. All rights reserved.
6  */
7 
8 #ifndef IMPATOM_SAME_RESIDUE_PAIR_FILTER_H
9 #define IMPATOM_SAME_RESIDUE_PAIR_FILTER_H
10 
11 #include <IMP/atom/atom_config.h>
12 #include <IMP/PairPredicate.h>
13 #include <IMP/pair_macros.h>
14 
15 IMPATOM_BEGIN_NAMESPACE
16 
17 //!
18 /** Predicate atoms that belong to the same residue. The is designed
19  for use with the DopePairScore. All particles passed to it must
20  be Atom particles. This can change if desired.
21 */
22 class IMPATOMEXPORT SameResiduePairFilter : public PairPredicate {
23  public:
25  virtual int get_value_index(Model *m,
26  const ParticleIndexPair &p) const
27  override;
29  Model *m, const ParticleIndexes &pis) const override;
32  ;
33 };
34 
35 IMPATOM_END_NAMESPACE
36 
37 #endif /* IMPATOM_SAME_RESIDUE_PAIR_FILTER_H */
Macros for various classes.
#define IMP_OBJECT_METHODS(Name)
Define the basic things needed by any Object.
Definition: object_macros.h:25
A more IMP-like version of the std::vector.
Definition: Vector.h:42
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:86
Define PairPredicate.
virtual ModelObjectsTemp do_get_inputs(Model *m, const ParticleIndexes &pis) const =0
Overload this method to specify the inputs.
Abstract predicate function.
Definition: PairPredicate.h:31
virtual int get_value_index(Model *m, const ParticleIndexPair &vt) const =0
Compute the predicate and the derivative if needed.
#define IMP_PAIR_PREDICATE_METHODS(Name)
Define extra the functions needed for a PairPredicate.
Definition: pair_macros.h:78