r5919 - /1.3/specific_fns/consistency_tests.py -- April 21, 2008 - 14:59

Author: bugman
Date: Mon Apr 21 14:59:00 2008
New Revision: 5919

URL: http://svn.gna.org/viewcvs/relax?rev=5919&view=rev
Log:
Improved the testing in the consistency testing calculate() method.

This mimicks the J(w) mapping changes of r5743 and r5744.


Modified:
    1.3/specific_fns/consistency_tests.py

Modified: 1.3/specific_fns/consistency_tests.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/consistency_tests.py?rev=5919&r1=5918&r2=5919&view=diff
==============================================================================
--- 1.3/specific_fns/consistency_tests.py (original)
+++ 1.3/specific_fns/consistency_tests.py Mon Apr 21 14:59:00 2008
@@ -31,7 +31,7 @@
 from generic_fns.selection import exists_mol_res_spin_data, spin_loop
 from maths_fns.consistency_tests import Consistency
 from physical_constants import N15_CSA, NH_BOND_LENGTH, h_bar, mu0, 
return_gyromagnetic_ratio
-from relax_errors import RelaxError, RelaxFuncSetupError, RelaxNoPipeError, 
RelaxNoSequenceError, RelaxNoValueError
+from relax_errors import RelaxError, RelaxFuncSetupError, RelaxNoPipeError, 
RelaxNoSequenceError, RelaxNoValueError, RelaxProtonTypeError, 
RelaxSpinTypeError
 
 
 class Consistency_tests(Common_functions):
@@ -55,26 +55,33 @@
 
         # Test if the CSA, bond length, angle Theta and correlation time 
values have been set.
         for spin in spin_loop(spin_id):
-
             # Skip unselected spins.
             if not spin.select:
                 continue
 
-            # CSA value.
+            # Test if the CSA value has been set.
             if not hasattr(spin, 'csa') or spin.csa == None:
                 raise RelaxNoValueError, "CSA"
 
-            # Bond length value.
+            # Test if the bond length has been set.
             if not hasattr(spin, 'r') or spin.r == None:
                 raise RelaxNoValueError, "bond length"
 
-            # Angle Theta
+            # Test if the angle Theta has been set.
             if not hasattr(spin, 'orientation') or spin.orientation == None:
                 raise RelaxNoValueError, "angle Theta"
 
-            # Correlation time
+            # Test if the correlation time has been set.
             if not hasattr(spin, 'tc') or spin.tc == None:
                 raise RelaxNoValueError, "correlation time"
+
+            # Test if the spin type has been set.
+            if not hasattr(spin, 'heteronuc_type'):
+                raise RelaxSpinTypeError
+
+            # Test if the type attached proton has been set.
+            if not hasattr(spin, 'proton_type'):
+                raise RelaxProtonTypeError
 
         # Frequency index.
         if cdp.ct_frq not in cdp.frq: