[cclib-svn] SF.net SVN: cclib: [56] trunk/test

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

Revision: 56
Author:   baoilleach
Date:     2006-04-07 03:38:57 -0700 (Fri, 07 Apr 2006)
ViewCVS:  http://svn.sourceforge.net/cclib/?rev=56&view=rev

Log Message:
-----------
Added prototype function normalisesym() to Logfile() for standardising the symmetry labels of molecular orbitals (and other symmetry labels too?). This should be overwritten in the subclasses.

Added a unittest to testall.py that checks to make sure that the prototype has been overwritten.

Modified Paths:
--------------
    trunk/src/cclib/parser/logfileparser.py
    trunk/test/testall.py
Modified: trunk/src/cclib/parser/logfileparser.py
===================================================================
--- trunk/src/cclib/parser/logfileparser.py	2006-04-04 16:06:01 UTC (rev 55)
+++ trunk/src/cclib/parser/logfileparser.py	2006-04-07 10:38:57 UTC (rev 56)
@@ -103,6 +103,15 @@
         handler.setFormatter(logging.Formatter("[%(name)s %(levelname)s] %(message)s"))
         self.logger.addHandler(handler)
 
+    def normalisesym(self,symlabel):
+        """Standardise the symmetry labels between parsers.
+
+        This method should be overwritten by individual parsers, and should
+        contain appropriate doctests. If is not overwritten, this is detected
+        as an error by unit tests.
+        """
+        return "ERROR: This should be overwritten by this subclass"
+    
     def float(self,number):
         """Convert a string to a float avoiding the problem with Ds.
 

Modified: trunk/test/testall.py
===================================================================
--- trunk/test/testall.py	2006-04-04 16:06:01 UTC (rev 55)
+++ trunk/test/testall.py	2006-04-07 10:38:57 UTC (rev 56)
@@ -19,6 +19,10 @@
         """Is the SCF energy within 3eV(?) of -382.3?"""
         self.assert_(self.data.scfenergies[-1]+382.3<3)
 
+    def testnormalisesym(self):
+        """Did this subclasses overwrite normalisesym?"""
+        self.assertNotEquals(self.data.normalisesym("A"),"ERROR: This should be overwritten by this subclass")
+
 class GaussianGeoOptTest(GenericGeoOptTest):
     def setUp(self):
         self.data = getfile(G03,"basicGaussian03","dvb_gopt.out")


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