[cclib-svn] SF.net SVN: cclib: [141] trunk/test/testGeoOpt.py

[<bao...@us...>]

Revision: 141
Author:   baoilleach
Date:     2006-05-22 03:43:22 -0700 (Mon, 22 May 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=141&view=rev

Log Message:
-----------
Changed the test for atomcoords. The length of atomcoords should be one greater than the length of geovalues (the difference is the input coords).

Modified Paths:
--------------
    trunk/test/testGeoOpt.py
Modified: trunk/test/testGeoOpt.py
===================================================================
--- trunk/test/testGeoOpt.py	2006-05-22 08:54:39 UTC (rev 140)
+++ trunk/test/testGeoOpt.py	2006-05-22 10:43:22 UTC (rev 141)
@@ -15,7 +15,7 @@
         """Are atomcoords consistent with natom, Angstroms and geovalues?"""
         coords = self.data.atomcoords
         self.assertEquals(self.data.natom,len(coords[0]),"len(atomcoords[0]) is %d but natom is %d" % (self.data.natom,len(coords[0])))
-        self.assertEquals(len(self.data.geovalues),len(coords),"len(atomcoords) is %d but len(geovalues) is % d" % (len(coords),len(self.data.geovalues)))
+        self.assertEquals(len(self.data.geovalues),len(coords)-1,"len(atomcoords)-1 is %d but len(geovalues) is %d" % (len(coords)-1,len(self.data.geovalues)))
         # Find the minimum distance between two C atoms
         mindist = 999
         for i in range(self.data.natom-1):


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