[Nmrshiftdb-devel] CVS: nmrshiftdb/src/java/org/openscience/nmrshiftdb ReadGaussian.java,1.14,1.15

[Stefan K. <sh...@us...>]

Update of /cvsroot/nmrshiftdb/nmrshiftdb/src/java/org/openscience/nmrshiftdb
In directory usw-pr-cvs1:/tmp/cvs-serv16755/src/java/org/openscience/nmrshiftdb

Modified Files:
	ReadGaussian.java 
Log Message:
One more error


Index: ReadGaussian.java
===================================================================
RCS file: /cvsroot/nmrshiftdb/nmrshiftdb/src/java/org/openscience/nmrshiftdb/ReadGaussian.java,v
retrieving revision 1.14
retrieving revision 1.15
diff -C2 -r1.14 -r1.15
*** ReadGaussian.java	30 May 2002 15:35:09 -0000	1.14
--- ReadGaussian.java	30 May 2002 15:38:42 -0000	1.15
***************
*** 276,279 ****
--- 276,291 ----
  		}
  		spectrum=sd.saveSpectrum(now, "", dbmol, userKey, (DBSpectrumType)v.get(0), specFile.toString(), nmrshiftdbnr, originalConditions, signalstable, molWithH);
+ 		aio = new AllInOne(dbmol, spectrum, sd.dbconditions, sd.spectrumConditions, sd.signals, sd.shifts, sd.signalAtoms, dbatoms, bondAtoms, dbbonds, chemNames);
+ 		if (nmrprops.getProperty("writeserializedtodir").equals("true")) {
+ 			FileWriter out = new FileWriter(nmrprops.getProperty("serializeddir")+File.separatorChar+now.toString().replace(' ','_')+"_"+time.substring(time.length()-4)+"ms"+".ser");
+ 			out.write(aio.serializeMe());
+ 			out.close();
+ 		}
+ 		if (nmrprops.getProperty("sendserializedemail").equals("true")) {
+ 			MailMessage email = new org.apache.turbine.util.mail.MailMessage(jetspeedprops.getProperty("mail.server"), nmrprops.getProperty("serializedemail"), jetspeedprops.getProperty("mail.support"), "Serialized input from" + now.toString(), aio.serializeMe());
+ 			if (email.send() == false) {
+ 				Log.error("Sending email with serialized input from " + now.toString() +" failed for spectrum " + spectrum.getSpectrumId());
+ 			}
+ 		}
  		return;
  	}