[cclib-svn] SF.net SVN: cclib: [110] trunk/test

[<ate...@us...>]

Revision: 110
Author:   atenderholt
Date:     2006-05-10 16:02:55 -0700 (Wed, 10 May 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=110&view=rev

Log Message:
-----------
Fixed the aooverlap problem in ADF by replacing it with fooverlaps

Modified Paths:
--------------
    trunk/test/testSP.py
    trunk/test/testSPun.py
Modified: trunk/test/testSP.py
===================================================================
--- trunk/test/testSP.py	2006-05-10 22:55:56 UTC (rev 109)
+++ trunk/test/testSP.py	2006-05-10 23:02:55 UTC (rev 110)
@@ -28,6 +28,11 @@
 class ADFSPTest(GenericSPTest):
     def setUp(self):
         self.data = getfile(ADF,"basicADF2004.01","dvb_sp_b.adfout")
+    
+    def testdimaooverlaps(self):
+        """Are the dims of the overlap matrix consistent with nbasis?"""
+        #ADF uses fooverlaps
+        self.assertEquals(self.data.fooverlaps.shape,(self.data.nbasis,self.data.nbasis))
 
 names = [ "Gaussian", "PCGamess", "GAMESS", "ADF", "Jaguar" ]
 tests = [ GaussianSPTest, PCGamessSPTest,

Modified: trunk/test/testSPun.py
===================================================================
--- trunk/test/testSPun.py	2006-05-10 22:55:56 UTC (rev 109)
+++ trunk/test/testSPun.py	2006-05-10 23:02:55 UTC (rev 110)
@@ -34,6 +34,12 @@
     def setUp(self):
         self.data = getfile(ADF,"basicADF2004.01","dvb_un_sp.adfout")
 
+    def testdimaooverlaps(self):
+        """Are the dims of the overlap matrix consistent with nbasis?"""
+        #ADF uses fooverlaps
+        self.assertEquals(self.data.fooverlaps.shape,(self.data.nbasis,self.data.nbasis))
+
+
 names = [ "Gaussian", "PCGamess", "GAMESS", "ADF" ]
 tests = [ GaussianSPunTest, PCGamessSPunTest,
           GamessUSSPunTest, ADFSPunTest ]


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