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*/
/*! \internal \file
* \brief
* Implements classes in analysisdata.h.
*
- * \author Teemu Murtola <teemu.murtola@cbr.su.se>
+ * \author Teemu Murtola <teemu.murtola@gmail.com>
* \ingroup module_analysisdata
*/
-#include "gromacs/analysisdata/analysisdata.h"
+#include "gmxpre.h"
+
+#include "analysisdata.h"
#include "gromacs/analysisdata/dataframe.h"
#include "gromacs/analysisdata/datastorage.h"
#include "gromacs/analysisdata/paralleloptions.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
-
-#include "analysisdata-impl.h"
+#include "gromacs/utility/uniqueptr.h"
namespace gmx
{
/********************************************************************
- * AnalysisData::Impl
+ * AnalysisDataHandleImpl
*/
-AnalysisData::Impl::Impl()
+namespace internal
{
-}
-
-AnalysisData::Impl::~Impl()
+/*! \internal \brief
+ * Private implementation class for AnalysisDataHandle.
+ *
+ * \ingroup module_analysisdata
+ */
+class AnalysisDataHandleImpl
{
-}
+ public:
+ //! Creates a handle associated with the given data object.
+ explicit AnalysisDataHandleImpl(AnalysisData *data)
+ : data_(*data), currentFrame_(NULL)
+ {
+ }
+
+ //! The data object that this handle belongs to.
+ AnalysisData &data_;
+ //! Current storage frame object, or NULL if no current frame.
+ AnalysisDataStorageFrame *currentFrame_;
+};
+} // namespace internal
+
+/********************************************************************
+ * AnalysisData::Impl
+ */
+
+/*! \internal \brief
+ * Private implementation class for AnalysisData.
+ *
+ * \ingroup module_analysisdata
+ */
+class AnalysisData::Impl
+{
+ public:
+ //! Smart pointer type to manage a data handle implementation.
+ typedef gmx_unique_ptr<internal::AnalysisDataHandleImpl>::type
+ HandlePointer;
+ //! Shorthand for a list of data handles.
+ typedef std::vector<HandlePointer> HandleList;
+
+ //! Storage implementation.
+ AnalysisDataStorage storage_;
+ /*! \brief
+ * List of handles for this data object.
+ *
+ * Note that AnalysisDataHandle objects also contain (raw) pointers
+ * to these objects.
+ */
+ HandleList handles_;
+};
/********************************************************************
* AnalysisData
void
-AnalysisData::setColumnCount(int ncol)
+AnalysisData::setDataSetCount(int dataSetCount)
{
- GMX_RELEASE_ASSERT(ncol > 0, "Number of columns must be positive");
GMX_RELEASE_ASSERT(impl_->handles_.empty(),
"Cannot change data dimensionality after creating handles");
- AbstractAnalysisData::setColumnCount(ncol);
+ AbstractAnalysisData::setDataSetCount(dataSetCount);
+}
+
+
+void
+AnalysisData::setColumnCount(int dataSet, int columnCount)
+{
+ GMX_RELEASE_ASSERT(impl_->handles_.empty(),
+ "Cannot change data dimensionality after creating handles");
+ AbstractAnalysisData::setColumnCount(dataSet, columnCount);
}
GMX_RELEASE_ASSERT(impl_->handles_.empty(),
"Cannot change data type after creating handles");
AbstractAnalysisData::setMultipoint(bMultipoint);
- impl_->storage_.setMultipoint(bMultipoint);
+}
+
+
+int
+AnalysisData::frameCount() const
+{
+ return impl_->storage_.frameCount();
}
"Too many calls to startData() compared to provided options");
if (impl_->handles_.empty())
{
- notifyDataStart();
- impl_->storage_.setParallelOptions(opt);
- impl_->storage_.startDataStorage(this);
- }
- else if (isMultipoint())
- {
- GMX_THROW(NotImplementedError("Parallelism not supported for multipoint data"));
+ impl_->storage_.startParallelDataStorage(this, &moduleManager(), opt);
}
Impl::HandlePointer handle(new internal::AnalysisDataHandleImpl(this));
if (impl_->handles_.empty())
{
- notifyDataFinish();
+ impl_->storage_.finishDataStorage();
}
}
}
-/********************************************************************
- * AnalysisDataHandleImpl
- */
-
-internal::AnalysisDataHandleImpl::AnalysisDataHandleImpl(AnalysisData *data)
- : data_(*data), currentFrame_(NULL)
-{
-}
-
-
/********************************************************************
* AnalysisDataHandle
*/
}
+void
+AnalysisDataHandle::selectDataSet(int index)
+{
+ GMX_RELEASE_ASSERT(impl_ != NULL, "Invalid data handle used");
+ GMX_RELEASE_ASSERT(impl_->currentFrame_ != NULL,
+ "selectDataSet() called without calling startFrame()");
+ impl_->currentFrame_->selectDataSet(index);
+}
+
+
void
AnalysisDataHandle::setPoint(int column, real value, bool bPresent)
{
GMX_RELEASE_ASSERT(impl_ != NULL, "Invalid data handle used");
GMX_RELEASE_ASSERT(impl_->currentFrame_ != NULL,
"finishFrame() called without calling startFrame()");
- int index = impl_->currentFrame_->frameIndex();
+ AnalysisDataStorageFrame *frame = impl_->currentFrame_;
impl_->currentFrame_ = NULL;
- impl_->data_.impl_->storage_.finishFrame(index);
+ frame->finishFrame();
}