/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2010,2011,2012,2013, by the GROMACS development team, led by
- * David van der Spoel, Berk Hess, Erik Lindahl, and including many
- * others, as listed in the AUTHORS file in the top-level source
- * directory and at http://www.gromacs.org.
+ * Copyright (c) 2010,2011,2012,2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
+ * and including many others, as listed in the AUTHORS file in the
+ * top-level source directory and at http://www.gromacs.org.
*
* GROMACS is free software; you can redistribute it and/or
* modify it under the terms of the GNU Lesser General Public License
* \author Teemu Murtola <teemu.murtola@gmail.com>
* \ingroup module_analysisdata
*/
-#include "gromacs/analysisdata/datamodulemanager.h"
+#include "gmxpre.h"
+
+#include "datamodulemanager.h"
#include <vector>
#include "gromacs/analysisdata/abstractdata.h"
#include "gromacs/analysisdata/dataframe.h"
#include "gromacs/analysisdata/datamodule.h"
+#include "gromacs/analysisdata/paralleloptions.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
class AnalysisDataModuleManager::Impl
{
public:
+ //! Stores information about an attached module.
+ struct ModuleInfo
+ {
+ //! Initializes the module information.
+ explicit ModuleInfo(AnalysisDataModulePointer module)
+ : module(module), bParallel(false)
+ {
+ }
+
+ //! Pointer to the actual module.
+ AnalysisDataModulePointer module;
+ //! Whether the module supports parallel processing.
+ bool bParallel;
+ };
+
//! Shorthand for list of modules added to the data.
- typedef std::vector<AnalysisDataModulePointer> ModuleList;
+ typedef std::vector<ModuleInfo> ModuleList;
//! Describes the current state of the notification methods.
enum State
bool bDataProperty_[eDataPropertyNR];
//! true if all modules support missing data.
bool bAllowMissing_;
+ //! true if there are modules that do not support parallel processing.
+ bool bSerialModules_;
+ //! true if there are modules that support parallel processing.
+ bool bParallelModules_;
/*! \brief
* Current state of the notification methods.
};
AnalysisDataModuleManager::Impl::Impl()
- : bAllowMissing_(true), state_(eNotStarted), currIndex_(0)
+ : bAllowMissing_(true), bSerialModules_(false), bParallelModules_(false),
+ state_(eNotStarted), currIndex_(0)
{
// This must be in sync with how AbstractAnalysisData is actually
// initialized.
Impl::ModuleList::const_iterator i;
for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
{
- impl_->checkModuleProperty(**i, property, bSet);
+ impl_->checkModuleProperty(*i->module, property, bSet);
}
impl_->bDataProperty_[property] = bSet;
}
AnalysisDataModulePointer module)
{
impl_->checkModuleProperties(*module);
+ // TODO: Ensure that the system does not end up in an inconsistent state by
+ // adding a module in mid-data during parallel processing (probably best to
+ // prevent alltogether).
GMX_RELEASE_ASSERT(impl_->state_ != Impl::eInFrame,
"Cannot add a data module in mid-frame");
impl_->presentData(data, module.get());
{
impl_->bAllowMissing_ = false;
}
- impl_->modules_.push_back(module);
+ impl_->modules_.push_back(Impl::ModuleInfo(module));
}
void
}
+bool
+AnalysisDataModuleManager::hasSerialModules() const
+{
+ GMX_ASSERT(impl_->state_ != Impl::eNotStarted,
+ "Module state not accessible before data is started");
+ return impl_->bSerialModules_;
+}
+
+
void
-AnalysisDataModuleManager::notifyDataStart(AbstractAnalysisData *data) const
+AnalysisDataModuleManager::notifyDataStart(AbstractAnalysisData *data)
{
GMX_RELEASE_ASSERT(impl_->state_ == Impl::eNotStarted,
"notifyDataStart() called more than once");
GMX_RELEASE_ASSERT(data->columnCount(d) > 0,
"Data column count is not set");
}
- impl_->state_ = Impl::eInData;
+ impl_->state_ = Impl::eInData;
+ impl_->bSerialModules_ = !impl_->modules_.empty();
+ impl_->bParallelModules_ = false;
Impl::ModuleList::const_iterator i;
for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
// This should not fail, since addModule() and
// dataPropertyAboutToChange() already do the checks, but kept here to
// catch potential bugs (perhaps it would be best to assert on failure).
- impl_->checkModuleProperties(**i);
- (*i)->dataStarted(data);
+ impl_->checkModuleProperties(*i->module);
+ i->module->dataStarted(data);
+ }
+}
+
+
+void
+AnalysisDataModuleManager::notifyParallelDataStart(
+ AbstractAnalysisData *data,
+ const AnalysisDataParallelOptions &options)
+{
+ GMX_RELEASE_ASSERT(impl_->state_ == Impl::eNotStarted,
+ "notifyDataStart() called more than once");
+ for (int d = 0; d < data->dataSetCount(); ++d)
+ {
+ GMX_RELEASE_ASSERT(data->columnCount(d) > 0,
+ "Data column count is not set");
+ }
+ impl_->state_ = Impl::eInData;
+ impl_->bSerialModules_ = false;
+ impl_->bParallelModules_ = false;
+
+ Impl::ModuleList::iterator i;
+ for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
+ {
+ // This should not fail, since addModule() and
+ // dataPropertyAboutToChange() already do the checks, but kept here to
+ // catch potential bugs (perhaps it would be best to assert on failure).
+ impl_->checkModuleProperties(*i->module);
+ i->bParallel = i->module->parallelDataStarted(data, options);
+ if (i->bParallel)
+ {
+ impl_->bParallelModules_ = true;
+ }
+ else
+ {
+ impl_->bSerialModules_ = true;
+ }
}
}
GMX_ASSERT(header.index() == impl_->currIndex_, "Out of order frames");
impl_->state_ = Impl::eInFrame;
- Impl::ModuleList::const_iterator i;
- for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
+ if (impl_->bSerialModules_)
+ {
+ Impl::ModuleList::const_iterator i;
+ for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
+ {
+ if (!i->bParallel)
+ {
+ i->module->frameStarted(header);
+ }
+ }
+ }
+}
+
+void
+AnalysisDataModuleManager::notifyParallelFrameStart(
+ const AnalysisDataFrameHeader &header) const
+{
+ if (impl_->bParallelModules_)
{
- (*i)->frameStarted(header);
+ Impl::ModuleList::const_iterator i;
+ for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
+ {
+ if (i->bParallel)
+ {
+ i->module->frameStarted(header);
+ }
+ }
}
}
// "Invalid columns");
GMX_ASSERT(points.frameIndex() == impl_->currIndex_,
"Points do not correspond to current frame");
- if (!impl_->bAllowMissing_ && !points.allPresent())
+ if (impl_->bSerialModules_)
{
- GMX_THROW(APIError("Missing data not supported by a module"));
+ if (!impl_->bAllowMissing_ && !points.allPresent())
+ {
+ GMX_THROW(APIError("Missing data not supported by a module"));
+ }
+
+ Impl::ModuleList::const_iterator i;
+ for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
+ {
+ if (!i->bParallel)
+ {
+ i->module->pointsAdded(points);
+ }
+ }
}
+}
- Impl::ModuleList::const_iterator i;
- for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
+
+void
+AnalysisDataModuleManager::notifyParallelPointsAdd(
+ const AnalysisDataPointSetRef &points) const
+{
+ // TODO: Add checks for column spans (requires passing the information
+ // about the column counts from somewhere).
+ //GMX_ASSERT(points.lastColumn() < columnCount(points.dataSetIndex()),
+ // "Invalid columns");
+ if (impl_->bParallelModules_)
{
- (*i)->pointsAdded(points);
+ if (!impl_->bAllowMissing_ && !points.allPresent())
+ {
+ GMX_THROW(APIError("Missing data not supported by a module"));
+ }
+
+ Impl::ModuleList::const_iterator i;
+ for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
+ {
+ if (i->bParallel)
+ {
+ i->module->pointsAdded(points);
+ }
+ }
}
}
impl_->state_ = Impl::eInData;
++impl_->currIndex_;
- Impl::ModuleList::const_iterator i;
- for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
+ if (impl_->bSerialModules_)
+ {
+ Impl::ModuleList::const_iterator i;
+ for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
+ {
+ if (!i->bParallel)
+ {
+ i->module->frameFinished(header);
+ }
+ }
+ }
+}
+
+
+void
+AnalysisDataModuleManager::notifyParallelFrameFinish(
+ const AnalysisDataFrameHeader &header) const
+{
+ if (impl_->bParallelModules_)
{
- (*i)->frameFinished(header);
+ Impl::ModuleList::const_iterator i;
+ for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
+ {
+ if (i->bParallel)
+ {
+ i->module->frameFinished(header);
+ }
+ }
}
}
Impl::ModuleList::const_iterator i;
for (i = impl_->modules_.begin(); i != impl_->modules_.end(); ++i)
{
- (*i)->dataFinished();
+ i->module->dataFinished();
}
}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff