private void processAtomsBlock(int lineCount, IAtomContainer container) throws IOException {
for (int i = 0; i < lineCount; i++) {
String line = input.readLine();
int atomicNumber = Integer.parseInt(line.substring(7, 10).trim());
IAtom atom = container.getBuilder().newAtom();
atom.setAtomicNumber(atomicNumber);
atom.setSymbol(Symbols.byAtomicNumber[atomicNumber]);
container.addAtom(atom);
}
}
private void processBondsBlock(int lineCount, IAtomContainer container) throws IOException {
for (int i = 0; i < lineCount; i++) {
String line = input.readLine();
int atom1 = Integer.parseInt(line.substring(10, 13).trim()) - 1;
int atom2 = Integer.parseInt(line.substring(16, 19).trim()) - 1;
if (container.getBond(container.getAtom(atom1), container.getAtom(atom2)) == null) {
IBond bond =
container.getBuilder().newBond(container.getAtom(atom1), container.getAtom(atom2));
int order = Integer.parseInt(line.substring(23).trim());
bond.setOrder(BondManipulator.createBondOrder((double) order));
container.addBond(bond);
} // else: bond already present; CTX store the bonds twice
}
}
