- <init>
- getAtom
- getAtomCount
- addBond
- bonds
- create
Create a query from a molecule and a provided set of expressions. The molecule
is converted and any
- removeBond
- addAtom
Adds an atom to this container.
- addLonePair
Adds a lone pair to this AtomContainer.
- addSingleElectron
Adds a single electron to this AtomContainer.
- contains
True, if the AtomContainer contains the given SingleElectron object.
- getAtomNumber
Returns the position of a given atom in the atoms array. It returns -1 if the
atom does not exist.