[Nmrshiftdb-devel] CVS: nmrshiftdb/src/java/org/openscience/nmrshiftdb ReadGaussian.java,1.15,1.16

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

Update of /cvsroot/nmrshiftdb/nmrshiftdb/src/java/org/openscience/nmrshiftdb
In directory usw-pr-cvs1:/tmp/cvs-serv6224/src/java/org/openscience/nmrshiftdb

Modified Files:
	ReadGaussian.java 
Log Message:
This is better


Index: ReadGaussian.java
===================================================================
RCS file: /cvsroot/nmrshiftdb/nmrshiftdb/src/java/org/openscience/nmrshiftdb/ReadGaussian.java,v
retrieving revision 1.15
retrieving revision 1.16
diff -C2 -r1.15 -r1.16
*** ReadGaussian.java	30 May 2002 15:38:42 -0000	1.15
--- ReadGaussian.java	30 May 2002 15:59:17 -0000	1.16
***************
*** 230,234 ****
  			}
  		}
! 		spectrum=sd.saveSpectrum(now, "", dbmol, userKey, (DBSpectrumType)v.get(0), specFile.toString(), nmrshiftdbnr, originalConditions, signalstable, molWithH);
  		String nmrpropsFile = args[1] + "../conf/jetspeed/WEB-INF/conf/NMRShiftDB.properties";
  		String jetspeedpropsFile = args[1] + "../conf/jetspeed/WEB-INF/conf/JetspeedResources.properties";
--- 230,234 ----
  			}
  		}
! 		spectrum=sd.saveSpectrum(now, "", dbmol, userKey, (DBSpectrumType)v.get(0), specFile.toString(), nmrshiftdbnr, originalConditions, signalstable, molWithH, "true");
  		String nmrpropsFile = args[1] + "../conf/jetspeed/WEB-INF/conf/NMRShiftDB.properties";
  		String jetspeedpropsFile = args[1] + "../conf/jetspeed/WEB-INF/conf/JetspeedResources.properties";
***************
*** 275,279 ****
  			}
  		}
! 		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")) {
--- 275,279 ----
  			}
  		}
! 		spectrum=sd.saveSpectrum(now, "", dbmol, userKey, (DBSpectrumType)v.get(0), specFile.toString(), nmrshiftdbnr, originalConditions, signalstable, molWithH, "true");
  		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")) {