mailr4017 - /branches/N_state_model/generic_fns/align_tensor.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on November 26, 2007 - 15:23:
Author: bugman
Date: Mon Nov 26 15:15:14 2007
New Revision: 4017

URL: http://svn.gna.org/viewcvs/relax?rev=4017&view=rev
Log:
Removal of the generic_fns.align_tensor.test_params() function.


Modified:
    branches/N_state_model/generic_fns/align_tensor.py

Modified: branches/N_state_model/generic_fns/align_tensor.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/align_tensor.py?rev=4017&r1=4016&r2=4017&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/align_tensor.py (original)
+++ branches/N_state_model/generic_fns/align_tensor.py Mon Nov 26 15:15:14 
2007
@@ -490,9 +490,6 @@
     # Unknown parameter combination.
     else:
         raise RelaxUnknownParamCombError, ('param_types', param_types)
-
-    # Test the validity of the parameters.
-    test_params()
 
 
 def map_bounds(run, param):
@@ -1189,46 +1186,6 @@
         fold_angles()
 
 
-def test_params(num_params):
-    """Function for testing the validity of the input parameters."""
-
-    # Alias the current data pipe.
-    cdp = relax_data_store[relax_data_store.current_pipe]
-
-    # An allowable error to account for machine precision, optimisation 
quality, etc.
-    error = 1e-4
-
-    # tm.
-    tm = cdp.diff_tensor.tm
-    if tm <= 0.0 or tm > 1e-6:
-        raise RelaxError, "The tm value of " + `tm` + " should be between 
zero and one microsecond."
-
-    # Spheroid.
-    if num_params == 4:
-        # Parameters.
-        Diso = 1.0 / (6.0 * cdp.diff_tensor.tm)
-        Da = cdp.diff_tensor.Da
-
-        # Da.
-        if Da < (-1.5*Diso - error*Diso) or Da > (3.0*Diso + error*Diso):
-            raise RelaxError, "The Da value of " + `Da` + " should be 
between -3/2 * Diso and 3Diso."
-
-    # Ellipsoid.
-    if num_params == 6:
-        # Parameters.
-        Diso = 1.0 / (6.0 * cdp.diff_tensor.tm)
-        Da = cdp.diff_tensor.Da
-        Dr = cdp.diff_tensor.Dr
-
-        # Da.
-        if Da < (0.0 - error*Diso) or Da > (3.0*Diso + error*Diso):
-            raise RelaxError, "The Da value of " + `Da` + " should be 
between zero and 3Diso."
-
-        # Dr.
-        if Dr < (0.0 - error) or Dr > (1.0 + error):
-            raise RelaxError, "The Dr value of " + `Dr` + " should be 
between zero and one."
-
-
 def unit_axes():
     """Function for calculating the unit axes of the alignment tensor.
 




Related Messages


Powered by MHonArc, Updated Mon Nov 26 15:40:14 2007