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37 * Declares gmx::AbstractAnalysisArrayData and gmx::AnalysisArrayData.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
41 * \ingroup module_analysisdata
43 #ifndef GMX_ANALYSISDATA_ARRAYDATA_H
44 #define GMX_ANALYSISDATA_ARRAYDATA_H
48 #include "../utility/gmxassert.h"
50 #include "abstractdata.h"
51 #include "dataframe.h"
57 * Abstract base class for data objects that present in-memory data.
59 * This class implements a subclass of AbstractAnalysisData that presents an
60 * in-memory array through the AbstractAnalysisData interface. Subclasses
61 * should initialize the in-memory array through the provided protected member
62 * functions. This class provides public accessor methods for read access to
65 * Public accessor methods in this class do not throw, but assert if data is
66 * accessed before it is available.
69 * Add support for multiple data sets.
72 * \ingroup module_analysisdata
74 class AbstractAnalysisArrayData : public AbstractAnalysisData
77 virtual ~AbstractAnalysisArrayData();
80 * Returns the number of rows in the data array.
82 * This function is identical to frameCount(), except that frameCount()
83 * returns 0 before valuesReady() has been called.
85 int rowCount() const { return rowCount_; }
86 //! Returns true if values have been allocated.
87 bool isAllocated() const { return !value_.empty(); }
88 //! Returns the x value of the first frame.
89 real xstart() const { return xstart_; }
90 //! Returns the step between frame x values.
91 real xstep() const { return xstep_; }
92 //! Returns the x value of a row.
93 real xvalue(int row) const
95 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
96 return xstart() + row * xstep();
98 //! Returns a given array element.
99 const AnalysisDataValue &value(int row, int col) const
101 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
102 GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
103 GMX_ASSERT(isAllocated(), "Data array not allocated");
104 return value_[row * columnCount() + col];
109 * Initializes an empty array data object.
111 * \throws std::bad_alloc if out of memory.
113 AbstractAnalysisArrayData();
116 * Sets the number of columns in the data array.
118 * \param[in] ncols Number of columns in the data.
120 * Cannot be called after allocateValues().
122 * See AbstractAnalysisData::setColumnCount() for exception behavior.
124 void setColumnCount(int ncols);
126 * Sets the number of rows in the data array.
128 * \param[in] rowCount Number of rows in the data.
130 * Cannot be called after allocateValues().
134 void setRowCount(int rowCount);
136 * Allocates memory for the values.
138 * \throws std::bad_alloc if memory allocation fails.
140 * setColumnCount() and setRowCount() must have been called.
142 * Strong exception safety guarantee.
144 void allocateValues();
146 * Sets the values reported as x values for frames.
148 * \param[in] start x value for the first frame.
149 * \param[in] step Step between x values of successive frames.
151 * Must not be called after valuesReady().
155 void setXAxis(real start, real step);
156 //! Returns a reference to a given array element.
157 AnalysisDataValue &value(int row, int col)
159 GMX_ASSERT(row >= 0 && row < rowCount(), "Row index out of range");
160 GMX_ASSERT(col >= 0 && col < columnCount(), "Column index out of range");
161 GMX_ASSERT(isAllocated(), "Data array not allocated");
162 return value_[row * columnCount() + col];
165 * Notifies modules of the data.
167 * \throws unspecified Any exception thrown by attached data modules
168 * in data notification methods.
170 * This function should be called once the values in the array
171 * have been initialized. The values should not be changed after this
172 * function has been called.
177 * Copies the contents into a new object.
179 * \param[in] src Object to copy data from.
180 * \param[in,out] dest Empty array data object to copy data to.
181 * \throws std::bad_alloc if memory allocation for \p dest fails.
183 * \p dest should not have previous contents.
185 static void copyContents(const AbstractAnalysisArrayData *src,
186 AbstractAnalysisArrayData *dest);
189 virtual AnalysisDataFrameRef tryGetDataFrameInternal(int index) const;
190 virtual bool requestStorageInternal(int nframes);
193 AnalysisDataPointSetInfo pointSetInfo_;
194 std::vector<AnalysisDataValue> value_;
199 // Copy and assign disallowed by base.
203 * Simple in-memory data array.
205 * This class is a simple alternative to AnalysisData for in-memory data arrays
206 * that are constructed in-place.
208 * Public accessor methods in this class do not throw, but assert if data is
209 * accessed before it is available.
212 * This class exposes the protected functions of AbstractAnalysisArrayData for
217 * \ingroup module_analysisdata
219 class AnalysisArrayData : public AbstractAnalysisArrayData
223 * Initializes an empty array data object.
225 * \throws std::bad_alloc if out of memory.
227 AnalysisArrayData() {}
229 // TODO: These statements cause Doxygen to generate confusing
231 using AbstractAnalysisArrayData::setColumnCount;
232 using AbstractAnalysisArrayData::setRowCount;
233 using AbstractAnalysisArrayData::allocateValues;
234 using AbstractAnalysisArrayData::setXAxis;
235 using AbstractAnalysisArrayData::value;
236 using AbstractAnalysisArrayData::valuesReady;
238 // Copy and assign disallowed by base.