OEDepict TK 2.2.6¶

New features¶

The following changes have been made to improve the SVG images containing certain geometries (especially those made by the OE2DPropMap class):
- OELineCap_Butt (the default line cup) and OELineJoin_Miter (the default line join) parameters for shapes (lines, rectangles, etc.) are no longer written into the SVG images.
- OEImageBase.DrawRectangle for SVG will now trim the trailing zeros and the decimal point.
The above changes resulted in 40% smaller images and 10% faster image writing without any visual difference.
OE2DPath class has been added to allow drawing more complex lines connected by a series of points. The following methods were added to accept OE2DPath objects:
OEHighlightByColor.SetAtomExternalHighlight was added to generate better highlighting for small images.
OEAnnotateValenceProblems function was added to highlight potential atom valence problems on the molecule diagram.
OEWrite2DRingDictionaryReport function was added to generate a multi-page report for user-defined ring dictionaries. See also the 2D Coordinate Generation chapter in the OEChem TK manual.
OEImageBase.GetGlobalOffset method was added to return the global position of the image. This is currently only useful for subframes of an OEImageFrame object.

OEAnnotateDepictionProblems style has been redesigned to be more visually pleasing.
The positioning of + signs for reactions has been improved. The + signs and the arrow of the reactions now scale with the default line width of the molecule.

ringdict2pdf example has been added to generate a multi-page ring dictionary report.
-ringdict parameter has been added to the following examples to utilize user-defined ring dictionaries:
- depict example
- mol2img example
- mols2pdf example
All images in this documentation were automatically regenerated to reflect the changes made since the previous release.