OEDepict TK 2.1.0¶

New features¶

Added a new highlighting style, OEHighlightStyle_Cogwheel, and the corresponding highlighting class OEHighlightByCogwheel.
Added accessor methods for many parameters to the following highlighting classes:
Added OE2DMolDisplayOptions.SetBondWidthScaling method that allows line width of the bonds to be increased or decreased based upon the molecule scaling factor.
Added the following classes and functions to provide a convenient way to generate multi-page reports.
- OEReportOptions and OEReport classes
- OEConfigureReportOptions and OESetupReportOptions functions
- OEWriteReport function

Reimplemented the following Python OEDepict TK examples by utilizing the new OEReport class:
- mols2pdf.py
- viewmdlsearch.py

Added the OEMultiPageImageFile.GetPage method that provides access to the individual pages of a multi-page image file.
Added the OEConfigureImageGridNumColumns and OEConfigureImageGridNumRows functions to take the default number of columns and rows.
OEPrepareAlignedDepiction has been improved the generate better 2D molecule alignments by:
- Allowing rotations around unspecified cis/trans double bonds
- Refining the method that scores alignments based on internal atom clashes

Fixed the coordinate system to start from the top-left corner for raster images on OS X when using the OEImageBase.DrawPoint method. This was causing images to appear flipped around the y-axis.
The colors for OEGetHighlightColor were sometimes not initialized properly due to undefined library initialization order. This was causing the function to always return white.
Atoms that have both the atomic number and the atom map index of zero will now be rendered as *.
Synchronized code examples in all four supported languages (C++, Python, Java and C#) to ensure that they have the same behavior and generate identical images.
OEPrepareDepiction and OEDepictCoordinates could crash or generate random coordinates for molecules with adjacent spiro centers.

Methods that return a OE2DPoint reference, e.g. OE2DAtomDisplay.GetCoords, will now return a copy of the OE2DPoint instead in Python to avoid destructor ordering problems.
Wrapping the following methods in Python:

Added the Multi Page Reports section to document the usage of the OEReport object.
All images in the documentation were automatically regenerated to reflect the changes made since the previous release.

**Example of default element color changes**¶
OEDepict TK 2.0.4	OEDepict TK 2.1.0