Zap TK 2.1.1

Bug fixes

  • OEZap.GetMolecule and OEZap.GetFocusTarget now return a pointer instead of a reference. This is a breaking change and any code that calls these methods will have to be updated. These methods will return a null pointer if an acceptable molecule has not been set for them.

  • A warning has been added for molecules passed into Zap TK that do not return 3 when GetDimension is called. The dimension must be 3 for all molecules passed into Zap TK. The dimension is set automatically when using OEReadMolecule but a warning will be thrown and the molecule will not be accepted by Zap TK if the molecule has been made from scratch in the toolkits and SetDimension(3) has not been called on it.

Minor bug fixes

  • Fixed a memory bug related to extremely large files on Windows.