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@rajarshi
Created August 18, 2016 23:04
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byte[] molbytes = su.getFile(new ObjectId(oid));
ByteArrayInputStream bais = new ByteArrayInputStream(molbytes);
try {
MolImporter importer = new MolImporter(bais);
List<Molecule> mols = new ArrayList<Molecule>();
while (true) {
Molecule m = importer.read();
if (m == null) break;
m.setProperty("uuid", sub.getUserUuid());
m.setProperty("pi_name", sub.getPiName());
m.setProperty("sample_name", sub.getSampleName());
m.setProperty("oid_submission", sub.getOid());
m.setProperty("oid_structurefile", sub.getSdfOid());
mols.add(m);
}
importer.close();
return mols;
} catch (IOException e) {
log.warn("Format not recognized for submission oid " + sub.getOid()
+ " structure file oid " + sub.getSdfOid());
return null;
}
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