- generateCoordinates
Convenience method to generate 2D coordinates for a reaction. If atom-atom maps
are present on a rea
- <init>
- setMolecule
Assigns a molecule to be laid out. After, setting the molecule call
generateCoordinates() to assign
- getMolecule
Returns the molecule, usually used after a call of generateCoordinates()
- generateExperimentalCoordinates
Generates 2D coordinates on the non-hydrogen skeleton, after which coordinates
for the hydrogens are
- setAlignMappedReaction
Set whether reaction reactants should be allignned to their product.
- adjustForHydrogen
- aggregateMulticenterSgroups
- allPlaced
Are all rings in the Vector placed?
- angle
- assignStereochem
- clearHydrogenCounts
Simple helper function that sets all hydrogen counts to 0.