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/*! \internal \file
* \brief
* Implements classes in arraydata.h.
*
- * \author Teemu Murtola <teemu.murtola@cbr.su.se>
+ * \author Teemu Murtola <teemu.murtola@gmail.com>
* \ingroup module_analysisdata
*/
-#include "gromacs/analysisdata/arraydata.h"
+#include "gmxpre.h"
+
+#include "arraydata.h"
#include <algorithm>
#include "gromacs/analysisdata/dataframe.h"
-#include "gromacs/fatalerror/exceptions.h"
-#include "gromacs/fatalerror/gmxassert.h"
+#include "gromacs/analysisdata/datamodulemanager.h"
+#include "gromacs/utility/exceptions.h"
+#include "gromacs/utility/gmxassert.h"
namespace gmx
{
AbstractAnalysisArrayData::AbstractAnalysisArrayData()
- : _nrows(0), _xstart(0.0), _xstep(1.0), _bReady(false)
+ : rowCount_(0), pointSetInfo_(0, 0, 0, 0), xstep_(1.0),
+ bUniformX_(true), bReady_(false)
{
+ xvalue_.push_back(0);
}
AbstractAnalysisArrayData::~AbstractAnalysisArrayData()
}
-bool
-AbstractAnalysisArrayData::getDataWErr(int index, real *x, real *dx,
- const real **y, const real **dy,
- const bool **present) const
+AnalysisDataFrameRef
+AbstractAnalysisArrayData::tryGetDataFrameInternal(int index) const
{
- if (index < 0)
- {
- index += frameCount() - 1;
- if (index < 0)
- {
- return false;
- }
- }
- if (index >= frameCount())
- {
- return false;
- }
- if (x != NULL)
- {
- *x = xvalue(index);
- }
- if (dx != NULL)
- {
- *dx = 0.0;
- }
- if (y != NULL)
- {
- *y = &_value[index * columnCount()];
- }
- if (dy != NULL)
- {
- // TODO: Implement
- *dy = NULL;
- }
- if (present != NULL)
+ if (!isAllocated())
{
- // TODO: Implement
- *present = NULL;
+ return AnalysisDataFrameRef();
}
- return true;
+ std::vector<AnalysisDataValue>::const_iterator begin
+ = value_.begin() + index * columnCount();
+ return AnalysisDataFrameRef(
+ AnalysisDataFrameHeader(index, xvalue(index), 0.0),
+ constArrayRefFromVector<AnalysisDataValue>(begin, begin + columnCount()),
+ constArrayRefFromArray(&pointSetInfo_, 1));
}
bool
-AbstractAnalysisArrayData::requestStorage(int /*nframes*/)
+AbstractAnalysisArrayData::requestStorageInternal(int /*nframes*/)
{
return true;
}
{
GMX_RELEASE_ASSERT(!isAllocated(),
"Cannot change column count after data has been allocated");
- AbstractAnalysisData::setColumnCount(ncols);
+ AbstractAnalysisData::setColumnCount(0, ncols);
+ pointSetInfo_ = AnalysisDataPointSetInfo(0, ncols, 0, 0);
}
void
-AbstractAnalysisArrayData::setRowCount(int nrows)
+AbstractAnalysisArrayData::setRowCount(int rowCount)
{
- GMX_RELEASE_ASSERT(nrows > 0, "Invalid number of rows");
+ GMX_RELEASE_ASSERT(rowCount > 0, "Invalid number of rows");
GMX_RELEASE_ASSERT(!isAllocated(),
"Cannot change row count after data has been allocated");
- _nrows = nrows;
+ GMX_RELEASE_ASSERT(bUniformX_ || rowCount_ == 0
+ || rowCount == static_cast<int>(xvalue_.size()),
+ "X axis set with setXAxisValue() does not match the row count");
+ xvalue_.resize(rowCount);
+ if (bUniformX_ && rowCount > rowCount_)
+ {
+ for (int i = rowCount_; i < rowCount; ++i)
+ {
+ xvalue_[i] = xvalue_[0] + i * xstep_;
+ }
+ }
+ rowCount_ = rowCount;
}
GMX_RELEASE_ASSERT(!isAllocated(), "Can only allocate values once");
GMX_RELEASE_ASSERT(rowCount() > 0 && columnCount() > 0,
"Row and column counts must be set before allocating values");
- _value.resize(rowCount() * columnCount());
+ value_.resize(rowCount() * columnCount());
+ std::vector<AnalysisDataValue>::iterator i;
+ for (i = value_.begin(); i != value_.end(); ++i)
+ {
+ i->setValue(0.0);
+ }
}
void
AbstractAnalysisArrayData::setXAxis(real start, real step)
{
- GMX_RELEASE_ASSERT(!_bReady, "X axis cannot be set after data is finished");
- _xstart = start;
- _xstep = step;
+ GMX_RELEASE_ASSERT(!bReady_, "X axis cannot be set after data is finished");
+ xvalue_[0] = start;
+ xstep_ = step;
+ bUniformX_ = true;
+ for (int i = 0; i < rowCount_; ++i)
+ {
+ xvalue_[i] = start + i * xstep_;
+ }
+}
+
+
+void
+AbstractAnalysisArrayData::setXAxisValue(int row, real value)
+{
+ GMX_RELEASE_ASSERT(!bReady_, "X axis cannot be set after data is finished");
+ if (rowCount_ > 0)
+ {
+ GMX_RELEASE_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
+ }
+ else if (row >= static_cast<int>(xvalue_.size()))
+ {
+ xvalue_.resize(row + 1);
+ }
+ bUniformX_ = false;
+ xstep_ = 0.0;
+ xvalue_[row] = value;
}
AbstractAnalysisArrayData::valuesReady()
{
GMX_RELEASE_ASSERT(isAllocated(), "There must be some data");
- if (_bReady)
+ if (bReady_)
{
return;
}
- _bReady = true;
+ bReady_ = true;
- notifyDataStart();
- for (int i = 0; i < rowCount(); ++i)
+ std::vector<AnalysisDataValue>::const_iterator valueIter = value_.begin();
+ AnalysisDataModuleManager &modules = moduleManager();
+ modules.notifyDataStart(this);
+ for (int i = 0; i < rowCount(); ++i, valueIter += columnCount())
{
AnalysisDataFrameHeader header(i, xvalue(i), 0);
- notifyFrameStart(header);
- notifyPointsAdd(AnalysisDataPointSetRef(header, 0, columnCount(),
- &_value[i * columnCount()],
- NULL, NULL));
- notifyFrameFinish(header);
+ modules.notifyFrameStart(header);
+ modules.notifyPointsAdd(
+ AnalysisDataPointSetRef(
+ header, pointSetInfo_,
+ constArrayRefFromVector<AnalysisDataValue>(valueIter,
+ valueIter + columnCount())));
+ modules.notifyFrameFinish(header);
}
- notifyDataFinish();
+ modules.notifyDataFinish();
}
void
AbstractAnalysisArrayData::copyContents(const AbstractAnalysisArrayData *src,
- AbstractAnalysisArrayData *dest)
+ AbstractAnalysisArrayData *dest)
{
GMX_RELEASE_ASSERT(src->isAllocated(), "Source data must not be empty");
GMX_RELEASE_ASSERT(!dest->isAllocated(),
dest->setColumnCount(src->columnCount());
dest->setRowCount(src->rowCount());
dest->allocateValues();
- dest->setXAxis(src->xstart(), src->xstep());
- std::copy(src->_value.begin(), src->_value.end(), dest->_value.begin());
+ dest->xstep_ = src->xstep_;
+ dest->bUniformX_ = src->bUniformX_;
+ std::copy(src->xvalue_.begin(), src->xvalue_.end(), dest->xvalue_.begin());
+ std::copy(src->value_.begin(), src->value_.end(), dest->value_.begin());
}
} // namespace gmx
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff