src/gromacs/mdtypes/checkpointdata.cpp

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 2020, by the GROMACS development team, led by
   5  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
   6  * and including many others, as listed in the AUTHORS file in the
   7  * top-level source directory and at http://www.gromacs.org.
   8  *
   9  * GROMACS is free software; you can redistribute it and/or
  10  * modify it under the terms of the GNU Lesser General Public License
  11  * as published by the Free Software Foundation; either version 2.1
  12  * of the License, or (at your option) any later version.
  13  *
  14  * GROMACS is distributed in the hope that it will be useful,
  15  * but WITHOUT ANY WARRANTY; without even the implied warranty of
  16  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  17  * Lesser General Public License for more details.
  18  *
  19  * You should have received a copy of the GNU Lesser General Public
  20  * License along with GROMACS; if not, see
  21  * http://www.gnu.org/licenses, or write to the Free Software Foundation,
  22  * Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
  23  *
  24  * If you want to redistribute modifications to GROMACS, please
  25  * consider that scientific software is very special. Version
  26  * control is crucial - bugs must be traceable. We will be happy to
  27  * consider code for inclusion in the official distribution, but
  28  * derived work must not be called official GROMACS. Details are found
  29  * in the README & COPYING files - if they are missing, get the
  30  * official version at http://www.gromacs.org.
  31  *
  32  * To help us fund GROMACS development, we humbly ask that you cite
  33  * the research papers on the package. Check out http://www.gromacs.org.
  34  */
  35 /*! \internal \file
  36  * \brief Defines the checkpoint data structure for the modular simulator
  37  *
  38  * \author Pascal Merz <pascal.merz@me.com>
  39  * \ingroup module_mdtypes
  40  */
  41
  42 #include "gmxpre.h"
  43
  44 #include "checkpointdata.h"
  45
  46 #include "gromacs/utility/iserializer.h"
  47 #include "gromacs/utility/keyvaluetreeserializer.h"
  48
  49 namespace gmx
  50 {
  51
  52 void ReadCheckpointDataHolder::deserialize(ISerializer* serializer)
  53 {
  54     GMX_RELEASE_ASSERT(serializer->reading(),
  55                        "Tried to deserialize using a serializing ISerializer object.");
  56
  57     checkpointTree_ = deserializeKeyValueTree(serializer);
  58 }
  59
  60 void WriteCheckpointDataHolder::serialize(ISerializer* serializer)
  61 {
  62     GMX_RELEASE_ASSERT(!serializer->reading(),
  63                        "Tried to serialize using a deserializing ISerializer object.");
  64
  65     serializeKeyValueTree(outputTreeBuilder_.build(), serializer);
  66
  67     // Tree builder should not be used after build() (see docstring)
  68     // Make new builder to leave object in valid state
  69     outputTreeBuilder_ = KeyValueTreeBuilder();
  70 }
  71
  72 bool ReadCheckpointDataHolder::keyExists(const std::string& key) const
  73 {
  74     return checkpointTree_.keyExists(key);
  75 }
  76
  77 std::vector<std::string> ReadCheckpointDataHolder::keys() const
  78 {
  79     std::vector<std::string> keys;
  80     for (const auto& property : checkpointTree_.properties())
  81     {
  82         keys.emplace_back(property.key());
  83     }
  84     return keys;
  85 }
  86
  87 ReadCheckpointData ReadCheckpointDataHolder::checkpointData(const std::string& key) const
  88 {
  89     return ReadCheckpointData(checkpointTree_[key].asObject());
  90 }
  91
  92 WriteCheckpointData WriteCheckpointDataHolder::checkpointData(const std::string& key)
  93 {
  94     hasCheckpointDataBeenRequested_ = true;
  95     return WriteCheckpointData(outputTreeBuilder_.rootObject().addObject(key));
  96 }
  97
  98 bool WriteCheckpointDataHolder::empty() const
  99 {
 100     return !hasCheckpointDataBeenRequested_;
 101 }
 102
 103 } // namespace gmx