Author: bugman
Date: Thu Jan 15 17:12:46 2009
New Revision: 8478
URL: http://svn.gna.org/viewcvs/relax?rev=8478&view=rev
Log:
Created the validate() method.
Modified:
branches/multi_structure/generic_fns/structure/api_base.py
Modified: branches/multi_structure/generic_fns/structure/api_base.py
URL:
http://svn.gna.org/viewcvs/relax/branches/multi_structure/generic_fns/structure/api_base.py?rev=8478&r1=8477&r2=8478&view=diff
==============================================================================
--- branches/multi_structure/generic_fns/structure/api_base.py (original)
+++ branches/multi_structure/generic_fns/structure/api_base.py Thu Jan 15
17:12:46 2009
@@ -682,6 +682,21 @@
raise RelaxImplementError
+ def validate(self):
+ """Check the integrity of the structural data.
+
+ The number of molecules must be the same in all models.
+ """
+
+ # Reference number of molecules.
+ num_mols = len(self.structural_data[0].mol)
+
+ # Loop over all other models.
+ for i in range(1, len(self.structural_data)+1):
+ if num_mols != len(self.structural_data[i].mol):
+ raise RelaxError, "The structural object is not valid - the
number of molecules is not the same for all models."
+
+
class ModelList(list):
"""List type data container for the different structural models.
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