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metadynamics
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Helper Class to cacluate a one-dimensional index for a d-dimensional grid.
Public Member Functions | |
| IndexGrid () | |
| Constructs an index for one-dimensional grid of length 1. | |
| IndexGrid (const std::vector< unsigned int > &lengths) | |
| Constructs an index for a d-dimensional grid of given lengths. | |
| void | setLengths (const std::vector< unsigned int > &lengths) |
| Set the dimensions and lengths of the grid. | |
| unsigned int | getIndex (const std::vector< unsigned int > &coords) |
| Get a grid index for given coordinates. | |
| void | getCoordinates (const unsigned int idx, std::vector< unsigned int > &coords) |
| Get the coordinates for a given grid index. | |
| unsigned int | getNumElements () |
| Returns the total number of grid elements. | |
| unsigned int | getLength (const unsigned int i) |
| Returns the length of the grid in a given direction. | |
| unsigned int | getDimension () |
| Returns the dimensionsality of the grid. | |
Private Attributes | |
| std::vector< unsigned int > | m_lengths |
| Stores the lengths in every direction. | |
| std::vector< unsigned int > | m_factors |
| Pre-calculated factors for converting between index and coordinates. | |
| IndexGrid | ( | const std::vector< unsigned int > & | lengths | ) |
Constructs an index for a d-dimensional grid of given lengths.
| lengths | List of grid points in every direction |
| void getCoordinates | ( | const unsigned int | idx, |
| std::vector< unsigned int > & | coords | ||
| ) |
Get the coordinates for a given grid index.
| idx | The grid index |
| coords | The grid coordinates (output variable) |
| unsigned int getIndex | ( | const std::vector< unsigned int > & | coords | ) |
Get a grid index for given coordinates.
| coords | Coordinates of the grid point in d dimensions |
| unsigned int getLength | ( | const unsigned int | i | ) |
Returns the length of the grid in a given direction.
| i | Index of the direction |
| void setLengths | ( | const std::vector< unsigned int > & | lengths | ) |
Set the dimensions and lengths of the grid.
| lengths | List of grid points in every direction |
1.8.1.1