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33 * Declares gmx::AbstractAnalysisArrayData and gmx::AnalysisArrayData.
35 * \author Teemu Murtola <teemu.murtola@cbr.su.se>
37 * \ingroup module_analysisdata
39 #ifndef GMX_ANALYSISDATA_ARRAYDATA_H
40 #define GMX_ANALYSISDATA_ARRAYDATA_H
46 #include "../fatalerror/gmxassert.h"
48 #include "abstractdata.h"
54 * Abstract base class for data objects that present in-memory data.
56 * This class implements a subclass of AbstractAnalysisData that presents an
57 * in-memory array through the AbstractAnalysisData interface. Subclasses
58 * should initialize the in-memory array through the provided protected member
62 * \ingroup module_analysisdata
64 class AbstractAnalysisArrayData : public AbstractAnalysisData
67 virtual ~AbstractAnalysisArrayData();
70 * Returns the number of rows in the data array.
72 * This function is identical to frameCount(), except that frameCount()
73 * returns 0 before valuesReady() has been called.
75 int rowCount() const { return _nrows; }
76 //! Returns true if values have been allocated.
77 bool isAllocated() const { return !_value.empty(); }
78 //! Returns the x value of the first frame.
79 real xstart() const { return _xstart; }
80 //! Returns the step between frame x values.
81 real xstep() const { return _xstep; }
82 //! Returns the x value of a row.
83 real xvalue(int row) const
85 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
86 return xstart() + row * xstep();
88 //! Returns a given array element.
89 real value(int row, int col) const
91 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
92 GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
93 GMX_ASSERT(isAllocated(), "Data array not allocated");
94 return _value[row * columnCount() + col];
98 AbstractAnalysisArrayData();
101 * Sets the number of columns in the data array.
103 * Cannot be called after allocateValues().
105 void setColumnCount(int ncols);
107 * Sets the number of rows in the data array.
109 * Cannot be called after allocateValues().
111 void setRowCount(int nrows);
113 * Allocates memory for the values.
115 * setColumnCount() and setRowCount() must have been called.
117 void allocateValues();
119 * Sets the values reported as x values for frames.
121 void setXAxis(real start, real step);
122 //! Returns a reference to a given array element.
123 real &value(int row, int col)
125 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
126 GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
127 GMX_ASSERT(isAllocated(), "Data array not allocated");
128 return _value[row * columnCount() + col];
131 * Sets the value of an element in the array.
133 void setValue(int row, int col, real val)
135 value(row, col) = val;
138 * Notifies modules of the data.
140 * This function should be called once the values in the array
141 * have been initialized. The values should not be changed after this
142 * function has been called.
147 * Copies the contents into a new object.
149 * \param[in] src Object to copy data from.
150 * \param[in,out] dest Empty array data object to copy data to.
152 * \p dest should not have previous contents.
154 static void copyContents(const AbstractAnalysisArrayData *src,
155 AbstractAnalysisArrayData *dest);
158 virtual AnalysisDataFrameRef tryGetDataFrameInternal(int index) const;
159 virtual bool requestStorageInternal(int nframes);
162 std::vector<real> _value;
167 // Copy and assign disallowed by base.
171 * Simple in-memory data array.
173 * This class simply exposes the protected functions of
174 * AbstractAnalysisArrayData to allow construction of simple in-memory data
175 * arrays for input into data modules.
178 * \ingroup module_analysisdata
180 class AnalysisArrayData : public AbstractAnalysisArrayData
183 AnalysisArrayData() {}
185 // TODO: These statements cause Doxygen to generate confusing
187 using AbstractAnalysisArrayData::setColumnCount;
188 using AbstractAnalysisArrayData::setRowCount;
189 using AbstractAnalysisArrayData::allocateValues;
190 using AbstractAnalysisArrayData::setXAxis;
191 using AbstractAnalysisArrayData::value;
192 using AbstractAnalysisArrayData::setValue;
193 using AbstractAnalysisArrayData::valuesReady;
195 // Copy and assign disallowed by base.