- assign
Assign non-planar, up and down labels to indicate tetrahedral configuration.
Currently all existing
- <init>
Assign non-planar bonds to the tetrahedral stereocenters in the container.
- assignTwoLabels
- countRingBonds
- doMirror
- findBond
Find a bond between two possible atoms. For example beg1 - end or beg2 - end.
- findUnspecifiedDoubleBonds
Locates double bonds to mark as unspecified stereochemistry.
- flip
- getBondTypes
Generate a bond type code for a given atom. The bond code can be quickly tested
to count the number
- getRotated
- hasLinearEqualPaths
- hasOnlyPlainBonds
Check that an atom (v:index) is only adjacent to plain single bonds (may be a
bold or hashed wedged