OEDepict TK 2.0.2¶
Adding a scaling factor that can be used to increase or decrease the size of the fonts used to depict atom properties. (
Adding a scaling factor that can be used to increase or decrease the size of the fonts used to depict bond properties. (
The constructor of the
OEImageclass now takes a background color that is used to clear the image upon construction. A
.pngimage with transparent background can be generated by using the
OETransparentColorcolor as a background color when constructing an
Fixing the run-time initialization of the color that is used to depict super atoms.
Major bug fixes¶
The cairo graphics library (http://cairographics.org) used to draw
.pngimages on Linux has a bug where it is not thread safe when rendering text. OEDepict TK now performs its own mutual exclusion when calling into the cairo graphics library for text rendering to ensure thread safety.
Improving the depiction of super atoms (See examples in the
Minor bug fixes¶
OERenderMoleculecalled with an image and a molecule now uses the width and height of the image being passed.
OEDepictCoordinatesthrows a warning when trying to generate 2D coordinates for a two member ring, for example,
C1N1. The function will then fall back to trying to generate coordinates for those atoms as a chain.
Throwing a warning when attempting to draw a line or an arc with the
OEStipple::NoLinepen property. Throwing a warning when attempting to draw a rectangle, circle, triangle or a polygon with
Making sure that no radical dots are displayed for a query atom that has implicit hydrogen count information.
Before registering an aromatic ring for the
OEAromaticStyle::Circlestyle, a check is performed to ensure that the detected ring is not a fused ring of two smaller rings.
When two molecules are aligned by calling the
OEPrepareAlignedDepictionfunction, the fit molecule is scaled by the average bond length of the reference molecule.
OEDepictFixedCoordinatesfunction. For molecule alignment, please use the
Renaming the Application chapter to OEDepict Examples Summary and inserting the source code of the examples into the Examples chapter.
Adding code snippets for the
Describing the layout of a depicted atom in the
All images in this manual are now automatically generated as part of the release process and tested against benchmark images on all supported platforms.