public void setSmarts(String smarts) throws SMARTSException {
joeSmartsPatern = null;
joeSmartsPatern = new JOESmartsPattern();
if (!joeSmartsPatern.init(smarts))
throw new SMARTSException("Invalid SMARTS pattern " + smarts);
this.smarts = smarts;
}
public String getImplementationDetails() {
if (joeSmartsPatern == null) return "Joelib SMARTS";
else return joeSmartsPatern.getClass().getName();
}
public int hasSMARTSPattern(JOEMol mol) throws SMARTSException {
if (joeSmartsPatern == null) throw new SMARTSException("Undefined SMARTS pattern");
joeSmartsPatern.match(mol);
return joeSmartsPatern.numMatches();
}