2 * This file is part of the GROMACS molecular simulation package.
4 * Copyright (c) 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.
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.
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.
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.
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.
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.
37 * Implements classes in datastorage.h and paralleloptions.h.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_analysisdata
44 #include "datastorage.h"
51 #include "gromacs/analysisdata/abstractdata.h"
52 #include "gromacs/analysisdata/dataframe.h"
53 #include "gromacs/analysisdata/datamodulemanager.h"
54 #include "gromacs/analysisdata/paralleloptions.h"
55 #include "gromacs/utility/exceptions.h"
56 #include "gromacs/utility/gmxassert.h"
57 #include "gromacs/utility/uniqueptr.h"
62 /********************************************************************
63 * AnalysisDataParallelOptions
66 AnalysisDataParallelOptions::AnalysisDataParallelOptions()
67 : parallelizationFactor_(1)
72 AnalysisDataParallelOptions::AnalysisDataParallelOptions(int parallelizationFactor)
73 : parallelizationFactor_(parallelizationFactor)
75 GMX_RELEASE_ASSERT(parallelizationFactor >= 1,
76 "Invalid parallelization factor");
80 /********************************************************************
81 * AnalysisDataStorageImpl declaration
87 //! Smart pointer type for managing a storage frame builder.
88 typedef gmx_unique_ptr<AnalysisDataStorageFrame>::type
89 AnalysisDataFrameBuilderPointer;
92 * Private implementation class for AnalysisDataStorage.
94 * \ingroup module_analysisdata
96 class AnalysisDataStorageImpl
99 //! Smart pointer type for managing a stored frame.
100 typedef gmx_unique_ptr<AnalysisDataStorageFrameData>::type FramePointer;
102 //! Shorthand for a list of data frames that are currently stored.
103 typedef std::vector<FramePointer> FrameList;
104 //! Shorthand for a list of currently unused storage frame builders.
105 typedef std::vector<AnalysisDataFrameBuilderPointer> FrameBuilderList;
107 AnalysisDataStorageImpl();
109 //! Returns whether the storage is set to use multipoint data.
110 bool isMultipoint() const;
112 * Whether storage of all frames has been requested.
114 * Storage of all frames also works as expected if \a storageLimit_ is
115 * used in comparisons directly, but this method should be used to
116 * check how to manage \a frames_.
118 bool storeAll() const
120 return storageLimit_ == std::numeric_limits<int>::max();
122 //! Returns the index of the oldest frame that may be currently stored.
123 int firstStoredIndex() const;
124 //! Returns the index of the first frame that is not fully notified.
125 int firstUnnotifiedIndex() const { return firstUnnotifiedIndex_; }
127 * Computes index into \a frames_ for accessing frame \p index.
129 * \param[in] index Zero-based frame index.
130 * \retval -1 if \p index is not available in \a frames_.
134 int computeStorageLocation(int index) const;
137 * Computes an index into \a frames_ that is one past the last frame
142 size_t endStorageLocation() const;
145 * Extends \a frames_ to a new size.
147 * \throws std::bad_alloc if out of memory.
149 void extendBuffer(size_t newSize);
151 * Remove oldest frame from the storage to make space for a new one.
153 * Increments \a firstFrameLocation_ and reinitializes the frame that
154 * was made unavailable by this operation.
163 * Returns a frame builder object for use with a new frame.
165 * \throws std::bad_alloc if out of memory.
167 AnalysisDataFrameBuilderPointer getFrameBuilder();
170 * Returns whether notifications should be immediately fired.
172 * This is used to optimize multipoint handling for non-parallel cases,
173 * where it is not necessary to store even a single frame.
177 bool shouldNotifyImmediately() const
179 return isMultipoint() && storageLimit_ == 0 && pendingLimit_ == 1;
182 * Returns whether data needs to be stored at all.
184 * This is used to optimize multipoint handling for parallel cases
185 * (where shouldNotifyImmediately() returns false),
186 * where it is not necessary to store even a single frame.
189 * This could be extended to non-multipoint data as well.
193 bool needStorage() const
195 return storageLimit_ > 0 || (pendingLimit_ > 1 && modules_->hasSerialModules());
198 * Calls notification methods for new frames.
200 * \param[in] firstLocation First frame to consider.
201 * \throws unspecified Any exception thrown by frame notification
202 * methods in AbstractAnalysisData.
204 * Notifies \a data_ of new frames (from \p firstLocation and after
205 * that) if all previous frames have already been notified.
206 * Also rotates the \a frames_ buffer as necessary.
208 void notifyNextFrames(size_t firstLocation);
209 //! Implementation for AnalysisDataStorage::finishFrame().
210 void finishFrame(int index);
213 //! Parent data object to access data dimensionality etc.
214 const AbstractAnalysisData *data_;
215 //! Manager to use for notification calls.
216 AnalysisDataModuleManager *modules_;
218 * Number of past frames that need to be stored.
220 * Always non-negative. If storage of all frames has been requested,
221 * this is set to a large number.
225 * Number of future frames that may need to be started.
227 * Should always be at least one.
230 * Get rid of this alltogether, as it is no longer used much.
232 * \see AnalysisDataStorage::startFrame()
236 * Data frames that are currently stored.
238 * If storage of all frames has been requested, this is simply a vector
239 * of frames up to the latest frame that has been started.
240 * In this case, \a firstFrameLocation_ is always zero.
242 * If storage of all frames is not requested, this is a ring buffer of
243 * frames of size \c n=storageLimit_+pendingLimit_+1. If a frame with
244 * index \c index is currently stored, its location is
245 * \c index%frames_.size().
246 * When at most \a storageLimit_ first frames have been finished,
247 * this contains storage for the first \c n-1 frames.
248 * When more than \a storageLimit_ first frames have been finished,
249 * the oldest stored frame is stored in the location
250 * \a firstFrameLocation_, and \a storageLimit_ frames starting from
251 * this location are the last finished frames. \a pendingLimit_ frames
252 * follow, and some of these may be in progress or finished.
253 * There is always one unused frame in the buffer, which is initialized
254 * such that when \a firstFrameLocation_ is incremented, it becomes
255 * valid. This makes it easier to rotate the buffer in concurrent
256 * access scenarions (which are not yet otherwise implemented).
259 //! Location of oldest frame in \a frames_.
260 size_t firstFrameLocation_;
261 //! Index of the first frame that is not fully notified.
262 int firstUnnotifiedIndex_;
264 * Currently unused frame builders.
266 * The builders are cached to avoid repeatedly allocating memory for
267 * them. Typically, there are as many builders as there are concurrent
268 * users of the storage object. Whenever a frame is started, a builder
269 * is pulled from this pool by getFrameBuilder() (a new one is created
270 * if none are available), and assigned for that frame. When that
271 * frame is finished, the builder is returned to this pool.
273 FrameBuilderList builders_;
275 * Index of next frame that will be added to \a frames_.
277 * If all frames are not stored, this will be the index of the unused
278 * frame (see \a frames_).
283 /********************************************************************
284 * AnalysisDataStorageFrameImpl declaration
289 * Internal representation for a single stored frame.
291 * It is implemented such that the frame header is always valid, i.e.,
292 * header().isValid() returns always true.
294 * Methods in this class do not throw unless otherwise indicated.
296 * \ingroup module_analysisdata
298 class AnalysisDataStorageFrameData
301 //! Shorthand for a iterator into storage value containers.
302 typedef std::vector<AnalysisDataValue>::const_iterator ValueIterator;
304 //! Indicates what operations have been performed on a frame.
307 eMissing, //!< Frame has not yet been started.
308 eStarted, //!< startFrame() has been called.
309 eFinished, //!< finishFrame() has been called.
310 eNotified //!< Appropriate notifications have been sent.
314 * Create a new storage frame.
316 * \param storageImpl Storage object this frame belongs to.
317 * \param[in] index Zero-based index for the frame.
319 AnalysisDataStorageFrameData(AnalysisDataStorageImpl *storageImpl,
322 //! Whether the frame has been started with startFrame().
323 bool isStarted() const { return status_ >= eStarted; }
324 //! Whether the frame has been finished with finishFrame().
325 bool isFinished() const { return status_ >= eFinished; }
326 //! Whether all notifications have been sent.
327 bool isNotified() const { return status_ >= eNotified; }
328 //! Whether the frame is ready to be available outside the storage.
329 bool isAvailable() const { return status_ >= eFinished; }
331 //! Marks the frame as notified.
332 void markNotified() { status_ = eNotified; }
334 //! Returns the storage implementation object.
335 AnalysisDataStorageImpl &storageImpl() const { return storageImpl_; }
336 //! Returns the underlying data object (for data dimensionalities etc.).
337 const AbstractAnalysisData &baseData() const { return *storageImpl().data_; }
339 //! Returns header for the frame.
340 const AnalysisDataFrameHeader &header() const { return header_; }
341 //! Returns zero-based index of the frame.
342 int frameIndex() const { return header().index(); }
343 //! Returns the number of point sets for the frame.
344 int pointSetCount() const { return pointSets_.size(); }
346 //! Clears the frame for reusing as a new frame.
347 void clearFrame(int newIndex);
349 * Initializes the frame during AnalysisDataStorage::startFrame().
351 * \param[in] header Header to use for the new frame.
352 * \param[in] builder Builder object to use.
354 void startFrame(const AnalysisDataFrameHeader &header,
355 AnalysisDataFrameBuilderPointer builder);
356 //! Returns the builder for this frame.
357 AnalysisDataStorageFrame &builder() const
359 GMX_ASSERT(builder_, "Accessing builder for not-in-progress frame");
363 * Adds a new point set to this frame.
365 void addPointSet(int dataSetIndex, int firstColumn,
366 ValueIterator begin, ValueIterator end);
368 * Finalizes the frame during AnalysisDataStorage::finishFrame().
370 * \returns The builder object used by the frame, for reusing it for
373 AnalysisDataFrameBuilderPointer finishFrame(bool bMultipoint);
375 //! Returns frame reference to this frame.
376 AnalysisDataFrameRef frameReference() const
378 return AnalysisDataFrameRef(header_, values_, pointSets_);
380 //! Returns point set reference to a given point set.
381 AnalysisDataPointSetRef pointSet(int index) const;
384 //! Storage object that contains this frame.
385 AnalysisDataStorageImpl &storageImpl_;
386 //! Header for the frame.
387 AnalysisDataFrameHeader header_;
388 //! Values for the frame.
389 std::vector<AnalysisDataValue> values_;
390 //! Information about each point set in the frame.
391 std::vector<AnalysisDataPointSetInfo> pointSets_;
393 * Builder object for the frame.
395 * Non-NULL when the frame is in progress, i.e., has been started but
398 AnalysisDataFrameBuilderPointer builder_;
399 //! In what state the frame currently is.
402 GMX_DISALLOW_COPY_AND_ASSIGN(AnalysisDataStorageFrameData);
405 /********************************************************************
406 * AnalysisDataStorageImpl implementation
409 AnalysisDataStorageImpl::AnalysisDataStorageImpl()
410 : data_(NULL), modules_(NULL),
411 storageLimit_(0), pendingLimit_(1),
412 firstFrameLocation_(0), firstUnnotifiedIndex_(0), nextIndex_(0)
418 AnalysisDataStorageImpl::isMultipoint() const
420 GMX_ASSERT(data_ != NULL, "isMultipoint() called too early");
421 return data_->isMultipoint();
426 AnalysisDataStorageImpl::firstStoredIndex() const
428 return frames_[firstFrameLocation_]->frameIndex();
433 AnalysisDataStorageImpl::computeStorageLocation(int index) const
435 if (index < firstStoredIndex() || index >= nextIndex_)
439 return index % frames_.size();
444 AnalysisDataStorageImpl::endStorageLocation() const
448 return frames_.size();
450 if (frames_[0]->frameIndex() == 0 || firstFrameLocation_ == 0)
452 return frames_.size() - 1;
454 return firstFrameLocation_ - 1;
459 AnalysisDataStorageImpl::extendBuffer(size_t newSize)
461 frames_.reserve(newSize);
462 while (frames_.size() < newSize)
464 frames_.push_back(FramePointer(new AnalysisDataStorageFrameData(this, nextIndex_)));
467 // The unused frame should not be included in the count.
476 AnalysisDataStorageImpl::rotateBuffer()
478 GMX_ASSERT(!storeAll(),
479 "No need to rotate internal buffer if everything is stored");
480 size_t prevFirst = firstFrameLocation_;
481 size_t nextFirst = prevFirst + 1;
482 if (nextFirst == frames_.size())
486 firstFrameLocation_ = nextFirst;
487 frames_[prevFirst]->clearFrame(nextIndex_ + 1);
492 AnalysisDataFrameBuilderPointer
493 AnalysisDataStorageImpl::getFrameBuilder()
495 if (builders_.empty())
497 return AnalysisDataFrameBuilderPointer(new AnalysisDataStorageFrame(*data_));
499 AnalysisDataFrameBuilderPointer builder(move(builders_.back()));
500 builders_.pop_back();
501 return move(builder);
506 AnalysisDataStorageImpl::notifyNextFrames(size_t firstLocation)
508 if (frames_[firstLocation]->frameIndex() != firstUnnotifiedIndex_)
512 size_t i = firstLocation;
513 size_t end = endStorageLocation();
516 AnalysisDataStorageFrameData &storedFrame = *frames_[i];
517 if (!storedFrame.isFinished())
521 if (!storedFrame.isNotified())
523 // Increment before the notifications to make the frame available
524 // in the module callbacks.
525 ++firstUnnotifiedIndex_;
526 modules_->notifyFrameStart(storedFrame.header());
527 for (int j = 0; j < storedFrame.pointSetCount(); ++j)
529 modules_->notifyPointsAdd(storedFrame.pointSet(j));
531 modules_->notifyFrameFinish(storedFrame.header());
532 storedFrame.markNotified();
533 if (storedFrame.frameIndex() >= storageLimit_)
539 if (!storeAll() && i >= frames_.size())
548 AnalysisDataStorageImpl::finishFrame(int index)
550 const int storageIndex = computeStorageLocation(index);
551 GMX_RELEASE_ASSERT(storageIndex >= 0, "Out of bounds frame index");
553 AnalysisDataStorageFrameData &storedFrame = *frames_[storageIndex];
554 GMX_RELEASE_ASSERT(storedFrame.isStarted(),
555 "finishFrame() called for frame before startFrame()");
556 GMX_RELEASE_ASSERT(!storedFrame.isFinished(),
557 "finishFrame() called twice for the same frame");
558 GMX_RELEASE_ASSERT(storedFrame.frameIndex() == index,
559 "Inconsistent internal frame indexing");
560 builders_.push_back(storedFrame.finishFrame(isMultipoint()));
561 modules_->notifyParallelFrameFinish(storedFrame.header());
562 if (shouldNotifyImmediately())
564 ++firstUnnotifiedIndex_;
565 modules_->notifyFrameFinish(storedFrame.header());
566 if (storedFrame.frameIndex() >= storageLimit_)
573 notifyNextFrames(storageIndex);
578 /********************************************************************
579 * AnalysisDataStorageFrame implementation
582 AnalysisDataStorageFrameData::AnalysisDataStorageFrameData(
583 AnalysisDataStorageImpl *storageImpl,
585 : storageImpl_(*storageImpl), header_(index, 0.0, 0.0), status_(eMissing)
587 GMX_RELEASE_ASSERT(storageImpl->data_ != NULL,
588 "Storage frame constructed before data started");
589 // With non-multipoint data, the point set structure is static,
590 // so initialize it only once here.
591 if (!baseData().isMultipoint())
594 for (int i = 0; i < baseData().dataSetCount(); ++i)
596 int columnCount = baseData().columnCount(i);
597 pointSets_.push_back(
598 AnalysisDataPointSetInfo(offset, columnCount, i, 0));
599 offset += columnCount;
606 AnalysisDataStorageFrameData::clearFrame(int newIndex)
608 GMX_RELEASE_ASSERT(!builder_, "Should not clear an in-progress frame");
610 header_ = AnalysisDataFrameHeader(newIndex, 0.0, 0.0);
612 if (baseData().isMultipoint())
620 AnalysisDataStorageFrameData::startFrame(
621 const AnalysisDataFrameHeader &header,
622 AnalysisDataFrameBuilderPointer builder)
626 builder_ = move(builder);
627 builder_->data_ = this;
628 builder_->selectDataSet(0);
633 AnalysisDataStorageFrameData::addPointSet(int dataSetIndex, int firstColumn,
634 ValueIterator begin, ValueIterator end)
636 const int valueCount = end - begin;
637 AnalysisDataPointSetInfo pointSetInfo(0, valueCount,
638 dataSetIndex, firstColumn);
639 AnalysisDataPointSetRef pointSet(header(), pointSetInfo,
640 constArrayRefFromVector<AnalysisDataValue>(begin, end));
641 storageImpl().modules_->notifyParallelPointsAdd(pointSet);
642 if (storageImpl().shouldNotifyImmediately())
644 storageImpl().modules_->notifyPointsAdd(pointSet);
646 else if (storageImpl().needStorage())
648 pointSets_.push_back(
649 AnalysisDataPointSetInfo(values_.size(), valueCount,
650 dataSetIndex, firstColumn));
651 std::copy(begin, end, std::back_inserter(values_));
656 AnalysisDataFrameBuilderPointer
657 AnalysisDataStorageFrameData::finishFrame(bool bMultipoint)
662 GMX_RELEASE_ASSERT(static_cast<int>(pointSets_.size()) == baseData().dataSetCount(),
663 "Point sets created for non-multipoint data");
664 values_ = builder_->values_;
665 builder_->clearValues();
666 for (int i = 0; i < pointSetCount(); ++i)
668 storageImpl().modules_->notifyParallelPointsAdd(pointSet(i));
673 GMX_RELEASE_ASSERT(!builder_->bPointSetInProgress_,
674 "Unfinished point set");
676 AnalysisDataFrameBuilderPointer builder(move(builder_));
678 return move(builder);
682 AnalysisDataPointSetRef
683 AnalysisDataStorageFrameData::pointSet(int index) const
685 GMX_ASSERT(index >= 0 && index < pointSetCount(),
686 "Invalid point set index");
687 return AnalysisDataPointSetRef(
688 header_, pointSets_[index],
689 constArrayRefFromVector<AnalysisDataValue>(values_.begin(), values_.end()));
692 } // namespace internal
694 /********************************************************************
695 * AnalysisDataStorageFrame
698 AnalysisDataStorageFrame::AnalysisDataStorageFrame(
699 const AbstractAnalysisData &data)
700 : data_(NULL), currentDataSet_(0), currentOffset_(0),
701 columnCount_(data.columnCount(0)), bPointSetInProgress_(false)
703 int totalColumnCount = 0;
704 for (int i = 0; i < data.dataSetCount(); ++i)
706 totalColumnCount += data.columnCount(i);
708 values_.resize(totalColumnCount);
712 AnalysisDataStorageFrame::~AnalysisDataStorageFrame()
718 AnalysisDataStorageFrame::clearValues()
720 if (bPointSetInProgress_)
722 std::vector<AnalysisDataValue>::iterator i;
723 for (i = values_.begin(); i != values_.end(); ++i)
728 bPointSetInProgress_ = false;
733 AnalysisDataStorageFrame::selectDataSet(int index)
735 GMX_RELEASE_ASSERT(data_ != NULL, "Invalid frame accessed");
736 const AbstractAnalysisData &baseData = data_->baseData();
737 GMX_RELEASE_ASSERT(index >= 0 && index < baseData.dataSetCount(),
738 "Out of range data set index");
739 GMX_RELEASE_ASSERT(!baseData.isMultipoint() || !bPointSetInProgress_,
740 "Point sets in multipoint data cannot span data sets");
741 currentDataSet_ = index;
743 // TODO: Consider precalculating.
744 for (int i = 0; i < index; ++i)
746 currentOffset_ += baseData.columnCount(i);
748 columnCount_ = baseData.columnCount(index);
753 AnalysisDataStorageFrame::finishPointSet()
755 GMX_RELEASE_ASSERT(data_ != NULL, "Invalid frame accessed");
756 GMX_RELEASE_ASSERT(data_->baseData().isMultipoint(),
757 "Should not be called for non-multipoint data");
758 if (bPointSetInProgress_)
760 std::vector<AnalysisDataValue>::const_iterator begin
761 = values_.begin() + currentOffset_;
762 std::vector<AnalysisDataValue>::const_iterator end
763 = begin + columnCount_;
765 while (begin != end && !begin->isSet())
770 while (end != begin && !(end-1)->isSet())
778 data_->addPointSet(currentDataSet_, firstColumn, begin, end);
785 AnalysisDataStorageFrame::finishFrame()
787 GMX_RELEASE_ASSERT(data_ != NULL, "Invalid frame accessed");
788 data_->storageImpl().finishFrame(data_->frameIndex());
792 /********************************************************************
793 * AnalysisDataStorage
796 AnalysisDataStorage::AnalysisDataStorage()
802 AnalysisDataStorage::~AnalysisDataStorage()
808 AnalysisDataStorage::frameCount() const
810 return impl_->firstUnnotifiedIndex();
815 AnalysisDataStorage::tryGetDataFrame(int index) const
817 int storageIndex = impl_->computeStorageLocation(index);
818 if (storageIndex == -1)
820 return AnalysisDataFrameRef();
822 const internal::AnalysisDataStorageFrameData &storedFrame
823 = *impl_->frames_[storageIndex];
824 if (!storedFrame.isAvailable())
826 return AnalysisDataFrameRef();
828 return storedFrame.frameReference();
833 AnalysisDataStorage::requestStorage(int nframes)
835 // Handle the case when everything needs to be stored.
838 impl_->storageLimit_ = std::numeric_limits<int>::max();
841 // Check whether an earlier call has requested more storage.
842 if (nframes < impl_->storageLimit_)
846 impl_->storageLimit_ = nframes;
852 AnalysisDataStorage::startDataStorage(AbstractAnalysisData *data,
853 AnalysisDataModuleManager *modules)
855 modules->notifyDataStart(data);
856 // Data needs to be set before calling extendBuffer()
858 impl_->modules_ = modules;
859 if (!impl_->storeAll())
861 // 2 = pending limit (1) + 1
862 impl_->extendBuffer(impl_->storageLimit_ + 2);
868 AnalysisDataStorage::startParallelDataStorage(
869 AbstractAnalysisData *data,
870 AnalysisDataModuleManager *modules,
871 const AnalysisDataParallelOptions &options)
873 const int pendingLimit = 2 * options.parallelizationFactor() - 1;
874 impl_->pendingLimit_ = pendingLimit;
875 modules->notifyParallelDataStart(data, options);
876 // Data needs to be set before calling extendBuffer()
878 impl_->modules_ = modules;
879 if (!impl_->storeAll())
881 impl_->extendBuffer(impl_->storageLimit_ + pendingLimit + 1);
886 AnalysisDataStorageFrame &
887 AnalysisDataStorage::startFrame(const AnalysisDataFrameHeader &header)
889 GMX_ASSERT(header.isValid(), "Invalid header");
890 internal::AnalysisDataStorageFrameData *storedFrame;
891 if (impl_->storeAll())
893 size_t size = header.index() + 1;
894 if (impl_->frames_.size() < size)
896 impl_->extendBuffer(size);
898 storedFrame = impl_->frames_[header.index()].get();
902 int storageIndex = impl_->computeStorageLocation(header.index());
903 if (storageIndex == -1)
905 GMX_THROW(APIError("Out of bounds frame index"));
907 storedFrame = impl_->frames_[storageIndex].get();
909 GMX_RELEASE_ASSERT(!storedFrame->isStarted(),
910 "startFrame() called twice for the same frame");
911 GMX_RELEASE_ASSERT(storedFrame->frameIndex() == header.index(),
912 "Inconsistent internal frame indexing");
913 storedFrame->startFrame(header, impl_->getFrameBuilder());
914 impl_->modules_->notifyParallelFrameStart(header);
915 if (impl_->shouldNotifyImmediately())
917 impl_->modules_->notifyFrameStart(header);
919 return storedFrame->builder();
923 AnalysisDataStorageFrame &
924 AnalysisDataStorage::startFrame(int index, real x, real dx)
926 return startFrame(AnalysisDataFrameHeader(index, x, dx));
930 AnalysisDataStorageFrame &
931 AnalysisDataStorage::currentFrame(int index)
933 const int storageIndex = impl_->computeStorageLocation(index);
934 GMX_RELEASE_ASSERT(storageIndex >= 0, "Out of bounds frame index");
936 internal::AnalysisDataStorageFrameData &storedFrame = *impl_->frames_[storageIndex];
937 GMX_RELEASE_ASSERT(storedFrame.isStarted(),
938 "currentFrame() called for frame before startFrame()");
939 GMX_RELEASE_ASSERT(!storedFrame.isFinished(),
940 "currentFrame() called for frame after finishFrame()");
941 GMX_RELEASE_ASSERT(storedFrame.frameIndex() == index,
942 "Inconsistent internal frame indexing");
943 return storedFrame.builder();
948 AnalysisDataStorage::finishFrame(int index)
950 impl_->finishFrame(index);
954 AnalysisDataStorage::finishDataStorage()
956 // TODO: Check that all frames have been finished etc.
957 impl_->builders_.clear();
958 impl_->modules_->notifyDataFinish();