/** * Returns a one line string representation of this Container. This method is conform RFC #9. * * @return The string representation of this Container */ public String toString() { StringBuffer stringContent = new StringBuffer(64); stringContent.append("AtomContainer("); stringContent.append(this.hashCode()); if (getAtomCount() > 0) { stringContent.append(", #A:").append(getAtomCount()); for (int i = 0; i < getAtomCount(); i++) { stringContent.append(", ").append(getAtom(i).toString()); } } if (getBondCount() > 0) { stringContent.append(", #B:").append(getBondCount()); for (int i = 0; i < getBondCount(); i++) { stringContent.append(", ").append(getBond(i).toString()); } } if (getLonePairCount() > 0) { stringContent.append(", #LP:").append(getLonePairCount()); for (int i = 0; i < getLonePairCount(); i++) { stringContent.append(", ").append(getLonePair(i).toString()); } } if (getSingleElectronCount() > 0) { stringContent.append(", #SE:").append(getSingleElectronCount()); for (int i = 0; i < getSingleElectronCount(); i++) { stringContent.append(", ").append(getSingleElectron(i).toString()); } } if (stereoElements.size() > 0) { stringContent.append(", ST:[#").append(stereoElements.size()); for (IStereoElement elements : stereoElements) { stringContent.append(", ").append(elements.toString()); } stringContent.append(']'); } stringContent.append(')'); return stringContent.toString(); }