src/gromacs/domdec/localatomsetmanager.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Implements classes in LocalAtomSetmanager.h.
  38  *
  39  * \author Christian Blau <cblau@gwdg.de>
  40  * \ingroup module_domdec
  41  */
  42 #include "gmxpre.h"
  43
  44 #include "localatomsetmanager.h"
  45
  46 #include <algorithm>
  47 #include <memory>
  48
  49 #include "gromacs/domdec/localatomset.h"
  50 #include "gromacs/utility/exceptions.h"
  51
  52 #include "localatomsetdata.h"
  53
  54 namespace gmx
  55 {
  56
  57 /********************************************************************
  58  * LocalAtomSetManager::Impl */
  59
  60 /*! \internal \brief
  61  * Private implementation class for LocalAtomSetManager.
  62  */
  63 class LocalAtomSetManager::Impl
  64 {
  65     public:
  66         std::vector < std::unique_ptr < internal::LocalAtomSetData>> atomSetData_; /**< handles to the managed atom sets */
  67 };
  68
  69 /********************************************************************
  70  * LocalAtomSetManager */
  71
  72 LocalAtomSetManager::LocalAtomSetManager() : impl_(new Impl())
  73 {}
  74
  75 LocalAtomSetManager::~LocalAtomSetManager(){}
  76
  77 LocalAtomSet
  78 LocalAtomSetManager::add(ArrayRef<const int> globalAtomIndex)
  79 {
  80     impl_->atomSetData_.push_back(std::make_unique<internal::LocalAtomSetData>(globalAtomIndex));
  81     return LocalAtomSet(*impl_->atomSetData_.back());
  82 }
  83
  84 void
  85 LocalAtomSetManager::setIndicesInDomainDecomposition(const gmx_ga2la_t &ga2la)
  86 {
  87     for (const auto &atomSet : impl_->atomSetData_)
  88     {
  89         atomSet->setLocalAndCollectiveIndices(ga2la);
  90     }
  91 }
  92
  93 } // namespace gmx