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org::openscience::cdk::AtomContainer::AtomContainer ( int  atomCount,
int  bondCount,
int  lpCount,
int  seCount 
) [inline]

Constructs an empty AtomContainer that will contain a certain number of atoms and electronContainers. It will set the starting array lengths to the defined values, but will not create any Atom or ElectronContainer's.

atomCount Number of atoms to be in this container
bondCount Number of bonds to be in this container
lpCount Number of lone pairs to be in this container
seCount Number of single electrons to be in this container

Definition at line 171 of file AtomContainer.java.

References atomParities, atoms(), bonds(), lonePairCount, lonePairs(), singleElectronCount, and singleElectrons().

            this.atomCount = 0;
            this.bondCount = 0;
            this.lonePairCount = 0;
            this.singleElectronCount = 0;
            atoms = new IAtom[atomCount];
            bonds = new IBond[bondCount];
            lonePairs = new ILonePair[lpCount];
            singleElectrons = new ISingleElectron[seCount];
        atomParities = new Hashtable(atomCount/2);

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