scala::UnitCellSet Class Reference
List of all members.
Public Member Functions |
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| UnitCellSet () |
| | A group of unit cells, to averages and deviations etc.
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| UnitCellSet (const std::vector< Scell > &Cells) |
| | Construct from list of cells.
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void | init (const std::vector< Scell > &Cells) |
| | Initialise from list of cells.
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void | AddCell (const Scell &Cell) |
| | Add in a cell.
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int | Number () const |
| | Number of cells stored.
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std::vector< Scell > | Cells () const |
| | return all cells stored
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Scell | AverageCell () const |
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std::vector< double > | Deviations () const |
| | return list of deviations (A) from average of other cells
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double | WorstDeviation () const |
| | return worst deviation (A)
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std::vector< double > | RmsD () const |
| | return list of rms deviations for each cell parameter
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Scell | Average (const int &idxexclude=-1) const |
| | Average list of cells, if idxexclude >= 0, exclude entry with this index.
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The documentation for this class was generated from the following files:
1.6.3
