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IMP Reference Guide  develop.27926d84dc,2024/04/18
The Integrative Modeling Platform
QuadModifier.h
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1 // Autogenerated by ../../../../tmp/nightly-build-24918/imp-20240418.develop.27926d84dc/tools/build/make_containers.py
2 // from ../../../../tmp/nightly-build-24918/imp-20240418.develop.27926d84dc/tools/build/container_templates/kernel/ClassnameModifier.h
3 // Do not edit - any changes will be lost!
4 
5 /**
6  * \file IMP/QuadModifier.h
7  * \brief A Modifier on ParticleQuadsTemp
8  *
9  * Copyright 2007-2022 IMP Inventors. All rights reserved.
10  */
11 
12 #ifndef IMPKERNEL_QUAD_MODIFIER_H
13 #define IMPKERNEL_QUAD_MODIFIER_H
14 
15 #include <IMP/kernel_config.h>
16 #include "DerivativeAccumulator.h"
17 #include "base_types.h"
18 #include "internal/container_helpers.h"
19 #include "model_object_helpers.h"
20 
21 IMPKERNEL_BEGIN_NAMESPACE
22 
23 //! A base class for modifiers of ParticleQuadsTemp
24 /** The primary function of such a class is to change
25  the passed particles.
26 
27  \see IMP::QuadPredicate
28 
29  Implementers should see IMP_QUAD_MODIFIER(). Also see
30  QuadDerivativeModifier.
31  */
32 class IMPKERNELEXPORT QuadModifier : public ParticleInputs,
33  public ParticleOutputs,
34  public Object {
35  public:
36  typedef ParticleQuad Argument;
38  QuadModifier(std::string name = "QuadModifier %1%");
39 
40  /** Apply the function to a single value*/
41  virtual void apply_index(Model *m, const ParticleIndexQuad& v) const = 0;
42 
43  /** Apply the function to a collection of ParticleQuadsTemp */
44  /** If bounds are passed, only apply to ones between the upper and
45  lower bounds.*/
46  virtual void apply_indexes(Model *m, const ParticleIndexQuads &o,
47  unsigned int lower_bound,
48  unsigned int upper_bound) const {
49  for (unsigned int i = lower_bound; i < upper_bound; ++i) {
50  apply_index(m, o[i]);
51  }
52  }
53 
54  /** Apply the function to a collection of ParticleQuadsTemp */
55  /** Information on particles that moved since the last scoring function
56  evaluation is also passed, which may be used to accelerate the
57  computation. */
58  virtual void apply_indexes_moved(
59  Model *m, const ParticleIndexQuads &o,
60  unsigned int lower_bound, unsigned int upper_bound,
61  const ParticleIndexes &moved_pis,
62  const ParticleIndexes &reset_pis) const {
63  IMP_UNUSED(moved_pis);
64  IMP_UNUSED(reset_pis);
65  apply_indexes(m, o, lower_bound, upper_bound);
66  }
67 };
68 
69 IMPKERNEL_END_NAMESPACE
70 
71 #endif /* IMPKERNEL_QUAD_MODIFIER_H */
Basic types used by IMP.
A class to store a fixed array of same-typed values.
Definition: Array.h:40
virtual void apply_indexes(Model *m, const ParticleIndexQuads &o, unsigned int lower_bound, unsigned int upper_bound) const
Definition: QuadModifier.h:46
Base class for objects that take particle arguments and modify them.
Class for adding derivatives from restraints to the model.
Base class for objects that take particle arguments and read from them.
Class for storing model, its restraints, constraints, and particles.
Definition: Model.h:86
Common base class for heavy weight IMP objects.
Definition: Object.h:111
#define IMP_UNUSED(variable)
Classes used in the construction of ModelObjects.
virtual void apply_indexes_moved(Model *m, const ParticleIndexQuads &o, unsigned int lower_bound, unsigned int upper_bound, const ParticleIndexes &moved_pis, const ParticleIndexes &reset_pis) const
Definition: QuadModifier.h:58
A base class for modifiers of ParticleQuadsTemp.
Definition: QuadModifier.h:32