- placeFusedRing
Generated coordinates for a given ring, which is fused to another ring. The
rings share exactly one
- placeRing
Generated coordinates for a given ring. Multiplexes to special handlers for the
different possible s
- placeSpiroRing
Generated coordinates for a given ring, which is connected to a spiro ring. The
rings share exactly
- setMolecule
- angle
- checkAndMarkPlaced
Walks throught the atoms of each ring in a ring set and marks a ring as PLACED
if all of its atoms h
- countHetero
Counds the number of hetero atoms and hetero rings in a ringset. The properties
sdg:numHeteroRings a
- det
- getBridgeAtoms
Returns the bridge atoms, that is the outermost atoms in the chain of more than
two atoms which are
- getMidPoint
Get the middle of two provide points.
- getNativeRingRadius
Returns the ring radius of a perfect polygons of size ring.getAtomCount() The
ring radius is the dis
- getPerpendicular
Gat a vector perpendicular to the line, a-b, that is pointing the same direction
as 'ref'.