src/gromacs/analysisdata/dataproxy.cpp

   1 /*
   2  * This file is part of the GROMACS molecular simulation package.
   3  *
   4  * Copyright (c) 2010,2011,2012,2013,2014, 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
  37  * Implements gmx::AnalysisDataProxy.
  38  *
  39  * \author Teemu Murtola <teemu.murtola@gmail.com>
  40  * \ingroup module_analysisdata
  41  */
  42 #include "gmxpre.h"
  43
  44 #include "dataproxy.h"
  45
  46 #include "gromacs/analysisdata/dataframe.h"
  47 #include "gromacs/analysisdata/datamodulemanager.h"
  48 #include "gromacs/utility/gmxassert.h"
  49
  50 namespace gmx
  51 {
  52
  53 AnalysisDataProxy::AnalysisDataProxy(int firstColumn, int columnSpan,
  54                                      AbstractAnalysisData *data)
  55     : source_(*data), firstColumn_(firstColumn), columnSpan_(columnSpan),
  56       bParallel_(false)
  57 {
  58     GMX_RELEASE_ASSERT(data != NULL, "Source data must not be NULL");
  59     GMX_RELEASE_ASSERT(firstColumn >= 0 && columnSpan > 0, "Invalid proxy column");
  60     setMultipoint(source_.isMultipoint());
  61 }
  62
  63
  64 int
  65 AnalysisDataProxy::frameCount() const
  66 {
  67     return source_.frameCount();
  68 }
  69
  70
  71 AnalysisDataFrameRef
  72 AnalysisDataProxy::tryGetDataFrameInternal(int index) const
  73 {
  74     AnalysisDataFrameRef frame = source_.tryGetDataFrame(index);
  75     if (!frame.isValid())
  76     {
  77         return AnalysisDataFrameRef();
  78     }
  79     return AnalysisDataFrameRef(frame, firstColumn_, columnSpan_);
  80 }
  81
  82
  83 bool
  84 AnalysisDataProxy::requestStorageInternal(int nframes)
  85 {
  86     return source_.requestStorage(nframes);
  87 }
  88
  89
  90 int
  91 AnalysisDataProxy::flags() const
  92 {
  93     return efAllowMultipoint | efAllowMulticolumn | efAllowMissing
  94            | efAllowMultipleDataSets;
  95 }
  96
  97
  98 void
  99 AnalysisDataProxy::dataStarted(AbstractAnalysisData *data)
 100 {
 101     GMX_RELEASE_ASSERT(data == &source_, "Source data mismatch");
 102     setDataSetCount(data->dataSetCount());
 103     for (int i = 0; i < data->dataSetCount(); ++i)
 104     {
 105         setColumnCount(i, columnSpan_);
 106     }
 107     moduleManager().notifyDataStart(this);
 108 }
 109
 110
 111 bool
 112 AnalysisDataProxy::parallelDataStarted(
 113         AbstractAnalysisData              *data,
 114         const AnalysisDataParallelOptions &options)
 115 {
 116     GMX_RELEASE_ASSERT(data == &source_, "Source data mismatch");
 117     setDataSetCount(data->dataSetCount());
 118     for (int i = 0; i < data->dataSetCount(); ++i)
 119     {
 120         setColumnCount(i, columnSpan_);
 121     }
 122     moduleManager().notifyParallelDataStart(this, options);
 123     bParallel_ = !moduleManager().hasSerialModules();
 124     return bParallel_;
 125 }
 126
 127
 128 void
 129 AnalysisDataProxy::frameStarted(const AnalysisDataFrameHeader &frame)
 130 {
 131     if (bParallel_)
 132     {
 133         moduleManager().notifyParallelFrameStart(frame);
 134     }
 135     else
 136     {
 137         moduleManager().notifyFrameStart(frame);
 138     }
 139 }
 140
 141
 142 void
 143 AnalysisDataProxy::pointsAdded(const AnalysisDataPointSetRef &points)
 144 {
 145     AnalysisDataPointSetRef columns(points, firstColumn_, columnSpan_);
 146     if (columns.columnCount() > 0)
 147     {
 148         if (bParallel_)
 149         {
 150             moduleManager().notifyParallelPointsAdd(columns);
 151         }
 152         else
 153         {
 154             moduleManager().notifyPointsAdd(columns);
 155         }
 156     }
 157 }
 158
 159
 160 void
 161 AnalysisDataProxy::frameFinished(const AnalysisDataFrameHeader &header)
 162 {
 163     if (bParallel_)
 164     {
 165         moduleManager().notifyParallelFrameFinish(header);
 166     }
 167     else
 168     {
 169         moduleManager().notifyFrameFinish(header);
 170     }
 171 }
 172
 173 void
 174 AnalysisDataProxy::frameFinishedSerial(int frameIndex)
 175 {
 176     if (bParallel_)
 177     {
 178         // The x and dx values are unused in this case.
 179         AnalysisDataFrameHeader header(frameIndex, 0.0, 0.0);
 180         moduleManager().notifyFrameFinish(header);
 181     }
 182 }
 183
 184
 185 void
 186 AnalysisDataProxy::dataFinished()
 187 {
 188     moduleManager().notifyDataFinish();
 189 }
 190
 191 } // namespace gmx