Revision: 75
Author: baoilleach
Date: 2006-04-17 13:43:24 -0700 (Mon, 17 Apr 2006)
ViewCVS: http://svn.sourceforge.net/cclib/?rev=75&view=rev
Log Message:
-----------
Test the parsing of all of the uploaded Jaguar files
Modified Paths:
--------------
trunk/test/parseJaguar.py
Modified: trunk/test/parseJaguar.py
===================================================================
--- trunk/test/parseJaguar.py 2006-04-17 15:28:13 UTC (rev 74)
+++ trunk/test/parseJaguar.py 2006-04-17 20:43:24 UTC (rev 75)
@@ -3,12 +3,13 @@
os.chdir(os.path.join("..","data","Jaguar","basicJaguar"))
-os.chdir("eg01")
+files = [ ["eg01","dvb_gopt.out"],
+ ["eg02","dvb_sp.out"],
+ ["eg03","dvb_ir.out"],
+ ["eg06","dvb_un_sp.out"] ]
-for file in ["dvb_gopt.out"]:
- t = Jaguar(file)
- t.parse()
-
-print t.moenergies[0,:]
-print t.homos[0]
-print t.moenergies[0,t.homos[0]]
+for f in files:
+ t = Jaguar(os.path.join(f[0],f[1]))
+ t.parse()
+ if f[0]!="eg03":
+ print t.scfvalues
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