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37 * Implements classes in arraydata.h.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_analysisdata
42 #include "gromacs/analysisdata/arraydata.h"
46 #include "gromacs/analysisdata/dataframe.h"
47 #include "gromacs/utility/exceptions.h"
48 #include "gromacs/utility/gmxassert.h"
53 AbstractAnalysisArrayData::AbstractAnalysisArrayData()
54 : rowCount_(0), xstart_(0.0), xstep_(1.0), bReady_(false)
58 AbstractAnalysisArrayData::~AbstractAnalysisArrayData()
64 AbstractAnalysisArrayData::tryGetDataFrameInternal(int index) const
68 return AnalysisDataFrameRef();
70 std::vector<AnalysisDataValue>::const_iterator begin
71 = value_.begin() + index * columnCount();
72 return AnalysisDataFrameRef(
73 AnalysisDataFrameHeader(index, xvalue(index), 0.0),
74 AnalysisDataValuesRef(begin, begin + columnCount()));
79 AbstractAnalysisArrayData::requestStorageInternal(int /*nframes*/)
86 AbstractAnalysisArrayData::setColumnCount(int ncols)
88 GMX_RELEASE_ASSERT(!isAllocated(),
89 "Cannot change column count after data has been allocated");
90 AbstractAnalysisData::setColumnCount(ncols);
95 AbstractAnalysisArrayData::setRowCount(int rowCount)
97 GMX_RELEASE_ASSERT(rowCount > 0, "Invalid number of rows");
98 GMX_RELEASE_ASSERT(!isAllocated(),
99 "Cannot change row count after data has been allocated");
100 rowCount_ = rowCount;
105 AbstractAnalysisArrayData::allocateValues()
107 GMX_RELEASE_ASSERT(!isAllocated(), "Can only allocate values once");
108 GMX_RELEASE_ASSERT(rowCount() > 0 && columnCount() > 0,
109 "Row and column counts must be set before allocating values");
110 value_.resize(rowCount() * columnCount());
111 std::vector<AnalysisDataValue>::iterator i;
112 for (i = value_.begin(); i != value_.end(); ++i)
120 AbstractAnalysisArrayData::setXAxis(real start, real step)
122 GMX_RELEASE_ASSERT(!bReady_, "X axis cannot be set after data is finished");
129 AbstractAnalysisArrayData::valuesReady()
131 GMX_RELEASE_ASSERT(isAllocated(), "There must be some data");
138 std::vector<AnalysisDataValue>::const_iterator valueIter = value_.begin();
140 for (int i = 0; i < rowCount(); ++i, valueIter += columnCount())
142 AnalysisDataFrameHeader header(i, xvalue(i), 0);
143 notifyFrameStart(header);
144 notifyPointsAdd(AnalysisDataPointSetRef(header, 0,
145 AnalysisDataValuesRef(valueIter,
146 valueIter + columnCount())));
147 notifyFrameFinish(header);
154 AbstractAnalysisArrayData::copyContents(const AbstractAnalysisArrayData *src,
155 AbstractAnalysisArrayData *dest)
157 GMX_RELEASE_ASSERT(src->isAllocated(), "Source data must not be empty");
158 GMX_RELEASE_ASSERT(!dest->isAllocated(),
159 "Destination data must not be allocated");
160 dest->setColumnCount(src->columnCount());
161 dest->setRowCount(src->rowCount());
162 dest->allocateValues();
163 dest->setXAxis(src->xstart(), src->xstep());
164 std::copy(src->value_.begin(), src->value_.end(), dest->value_.begin());