@Override
    public double getTanimotoSimilarity() throws IOException {
        double tanimoto = getTanimotoAtomSimilarity() + getTanimotoBondSimilarity();
        if (tanimoto > 0 && getReactantMolecule().getBondCount() > 0 && getProductMolecule().getBondCount() > 0) {
            tanimoto /= 2;
        }
        return tanimoto;
    }
@ Override public double getTanimotoSimilarity ( ) throws IOException { double tanimoto = getTanimotoAtomSimilarity ( ) + getTanimotoBondSimilarity ( ) ; if ( tanimoto > 0 && getReactantMolecule ( ) . getBondCount ( ) > 0 && getProductMolecule ( ) . getBondCount ( ) > 0 ) { tanimoto /= 2 ; } return tanimoto ; }
{@inheritDoc}