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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/analysisdata/datamodulemanager.h"
48 #include "gromacs/utility/exceptions.h"
49 #include "gromacs/utility/gmxassert.h"
54 AbstractAnalysisArrayData::AbstractAnalysisArrayData()
55 : rowCount_(0), pointSetInfo_(0, 0, 0, 0), xstart_(0.0), xstep_(1.0),
60 AbstractAnalysisArrayData::~AbstractAnalysisArrayData()
66 AbstractAnalysisArrayData::tryGetDataFrameInternal(int index) const
70 return AnalysisDataFrameRef();
72 std::vector<AnalysisDataValue>::const_iterator begin
73 = value_.begin() + index * columnCount();
74 return AnalysisDataFrameRef(
75 AnalysisDataFrameHeader(index, xvalue(index), 0.0),
76 AnalysisDataValuesRef(begin, begin + columnCount()),
77 AnalysisDataPointSetInfosRef(&pointSetInfo_, 1));
82 AbstractAnalysisArrayData::requestStorageInternal(int /*nframes*/)
89 AbstractAnalysisArrayData::setColumnCount(int ncols)
91 GMX_RELEASE_ASSERT(!isAllocated(),
92 "Cannot change column count after data has been allocated");
93 AbstractAnalysisData::setColumnCount(0, ncols);
94 pointSetInfo_ = AnalysisDataPointSetInfo(0, ncols, 0, 0);
99 AbstractAnalysisArrayData::setRowCount(int rowCount)
101 GMX_RELEASE_ASSERT(rowCount > 0, "Invalid number of rows");
102 GMX_RELEASE_ASSERT(!isAllocated(),
103 "Cannot change row count after data has been allocated");
104 rowCount_ = rowCount;
109 AbstractAnalysisArrayData::allocateValues()
111 GMX_RELEASE_ASSERT(!isAllocated(), "Can only allocate values once");
112 GMX_RELEASE_ASSERT(rowCount() > 0 && columnCount() > 0,
113 "Row and column counts must be set before allocating values");
114 value_.resize(rowCount() * columnCount());
115 std::vector<AnalysisDataValue>::iterator i;
116 for (i = value_.begin(); i != value_.end(); ++i)
124 AbstractAnalysisArrayData::setXAxis(real start, real step)
126 GMX_RELEASE_ASSERT(!bReady_, "X axis cannot be set after data is finished");
133 AbstractAnalysisArrayData::valuesReady()
135 GMX_RELEASE_ASSERT(isAllocated(), "There must be some data");
142 std::vector<AnalysisDataValue>::const_iterator valueIter = value_.begin();
143 AnalysisDataModuleManager &modules = moduleManager();
144 modules.notifyDataStart(this);
145 for (int i = 0; i < rowCount(); ++i, valueIter += columnCount())
147 AnalysisDataFrameHeader header(i, xvalue(i), 0);
148 modules.notifyFrameStart(header);
149 modules.notifyPointsAdd(
150 AnalysisDataPointSetRef(
151 header, pointSetInfo_,
152 AnalysisDataValuesRef(valueIter,
153 valueIter + columnCount())));
154 modules.notifyFrameFinish(header);
156 modules.notifyDataFinish();
161 AbstractAnalysisArrayData::copyContents(const AbstractAnalysisArrayData *src,
162 AbstractAnalysisArrayData *dest)
164 GMX_RELEASE_ASSERT(src->isAllocated(), "Source data must not be empty");
165 GMX_RELEASE_ASSERT(!dest->isAllocated(),
166 "Destination data must not be allocated");
167 dest->setColumnCount(src->columnCount());
168 dest->setRowCount(src->rowCount());
169 dest->allocateValues();
170 dest->setXAxis(src->xstart(), src->xstep());
171 std::copy(src->value_.begin(), src->value_.end(), dest->value_.begin());