private static Expr getAtomExpr(IAtom atom) { return ((QueryAtom) AtomRef.deref(atom)).getExpression(); }
sb.append(generate(atom, ((QueryBond) BondRef.deref(prev)))); sb.append(generateAtom(atom, ((QueryAtom) AtomRef.deref(atom)).getExpression())); avisit.add(atom);
return ((QueryAtom)queryAtom).getExpression().matches(targetAtom, 0); return ((QueryAtom) queryAtom).getExpression() .matches(targetAtom, IStereoElement.LEFT); else if (parity > 0) return ((QueryAtom) queryAtom).getExpression() .matches(targetAtom, IStereoElement.RIGHT); else return ((QueryAtom) queryAtom).getExpression() .matches(targetAtom, 0);
return ((SMARTSAtom) queryAtom).chiralityMatches(targetAtom, 0, p); else return ((QueryAtom)queryAtom).getExpression().matches(targetAtom, 0); q *= p; if (q < 0) return ((QueryAtom) queryAtom).getExpression().matches(targetAtom, IStereoElement.LEFT); else if (q > 0) return ((QueryAtom) queryAtom).getExpression().matches(targetAtom, IStereoElement.RIGHT); else return ((QueryAtom) queryAtom).getExpression().matches(targetAtom, 0);
for (IAtom atom : mol.atoms()) { ReactionRole role = atom.getProperty(CDKConstants.REACTION_ROLE); ((QueryAtom) atom).getExpression().and( new Expr(Expr.Type.REACTION_ROLE, role.ordinal())
return false; if (submol.getAtomCount() == 1) { expr = ((QueryAtom) submol.getAtom(0)).getExpression(); } else { expr = new Expr(Expr.Type.RECURSIVE, submol);