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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