OEDepict TK 2.2.0¶
OEPrepareDepictionnow generates canonical depiction coordinates, i.e., the same 2D coordinates are generated regardless of the atom and bond ordering in the molecule. See the effect of this change in Table: Example of default element color changes.
OEDepict TK 2.1.0
OEDepict TK 2.2.0
Added the following non-linear color gradient to OESystem:
OEAddHighlightingfunction overloads added that take both atom and bond predicates.
OE2DMolDisplayOptions::SetBondLineGapScalemethod added for changing the gap between the lines of double and triple bonds.
OE2DMolDisplayOptions::SetBondLineAtomLabelGapScalemethod added for changing the gap between the atom labels and the end of the bond lines.
Minor bug fixes¶
Refined the method that is used to calculate the gap between the atom labels and the lines of the bonds when there is a charge or there are more than 3 explicit hydrogen neighbors.