Subsections

 
6.3 Grid 1.2.1

6.3.1 New Features

  1. This is the first release with a manual. In the process, some member functions of grid classes have been renamed to be more consistent with other OE toolkits.

  2. Added new functions to add, subtract, multiply or divide one grid by another grid. OEAddGrid, OESubtractGrid, OEMultiplyGrid, OEDivideGrid.

  3. Grids can now be attached to molecules or other grids and written to OEB files and read back in. It is important to use the new function OEInitGridHandlers to set up a stream for writing or reading these attached grids. Also, grids attached to molecules will automatically be loaded in Vida 3.

  4. Added new overload of OEIsReadableGrid and OEIsWriteableGrid that take a filename string.

6.3.2 Bug Fixes

  1. Fixed a bug where writing Delphi grids when the grid was larger than (65,65,65) resulted in a spacing of 1.0 Angstrom regardless of the actual spacing of the grid.