OEDepict TK 2.3.2¶
- OE2DMolDisplayOptions.GetAtomVisibilityFunctor and OE2DMolDisplayOptions.SetAtomVisibilityFunctor methods have been added to support the ability to selectively hide portions of a structure from depictions.
- OEAlignmentOptions.SetAddDepictionHydrogens and OEAlignmentOptions.GetAddDepictionHydrogens methods have been added to control depiction hydrogens added during molecule alignment.
- OEGetAverageBondLengthInDispCoords function has been added.
- OEGetNearbyAtom and OEGetNearbyBond functions have been added.
- OENearestAtom and OENearestBond classes now store the display position of the nearest atom and bond, respectively.
Major bug fixes¶
- A memory issue that caused OEPrepareAlignedDepiction function to crash has been fixed. The performance of molecule alignment has been also improved.
Minor bug fixes¶
Clashes between atom labels and inside bond lines of rings have been eliminated in cases when font scales larger than the default value were used. See the example below.
- All images in the OEDepict TK documentation were automatically regenerated to reflect the changes made since the previous release.