From: lochana m. <loc...@ya...> - 2014-04-10 19:29:30
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I observed the same behavior as this.. http://sourceforge.net/p/cdk/bugs/1197/ public static String iAtomContainerListToSDFString(List<IAtomContainer> mfSDF) throws FileNotFoundException, CDKException, IOException { StringWriter sw = new StringWriter(); BufferedWriter bw = new BufferedWriter(sw,2); SDFWriter sdfW = new SDFWriter(bw); for (IAtomContainer ia : mfSDF) { sdfW.write(ia); } String sdfString = sw.toString(); sw.close(); bw.close(); sdfW.close(); System.out.println(sdfString); return sdfString; } This works, but if I use StringWriter without BufferedWriter it doesn't work. Also, If I use a large buffer size, the sdfString is either empty or without properties. I am using CDK 1.4.19 |