r16130 - in /1.3: relax_errors.py specific_fns/model_free/mf_minimise.py -- May 09, 2012 - 09:45

Author: bugman
Date: Wed May  9 09:45:24 2012
New Revision: 16130

URL: http://svn.gna.org/viewcvs/relax?rev=16130&view=rev
Log:
Improved error reporting for multiple vectors in a model-free analysis.

This was reported by Vitaly Vostrikov (vvostri att uark.edu) at
http://www.mail-archive.com/relax-users@xxxxxxx/msg00991.html (Message-ID:
<CAO2iSXE1ycB4KX1vxqk15CxbW1rpWczZAyR_bX1g6j+yA2PCTQ@xxxxxxxxxxxxxx>) and 
reported at bug #18807
(https://gna.org/bugs/?18807).


Modified:
    1.3/relax_errors.py
    1.3/specific_fns/model_free/mf_minimise.py

Modified: 1.3/relax_errors.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/relax_errors.py?rev=16130&r1=16129&r2=16130&view=diff
==============================================================================
--- 1.3/relax_errors.py (original)
+++ 1.3/relax_errors.py Wed May  9 09:45:24 2012
@@ -258,6 +258,11 @@
     def __init__(self, name):
         self.text = "The PDB file " + repr(name) + " could not be loaded 
properly, no molecular chains could be extracted."
 
+# Multiple unit vectors.
+class RelaxMultiVectorError(BaseError):
+    def __init__(self):
+        self.text = "The multiple unit XH bond vectors per spin - this is 
not supported by the current data pipe type."
+
 # No unit vectors.
 class RelaxNoVectorsError(BaseError):
     def __init__(self, pipe):

Modified: 1.3/specific_fns/model_free/mf_minimise.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/specific_fns/model_free/mf_minimise.py?rev=16130&r1=16129&r2=16130&view=diff
==============================================================================
--- 1.3/specific_fns/model_free/mf_minimise.py (original)
+++ 1.3/specific_fns/model_free/mf_minimise.py Wed May  9 09:45:24 2012
@@ -31,6 +31,7 @@
 from warnings import warn
 
 # relax module imports.
+import arg_check
 from float import isNaN, isInf
 from generic_fns import diffusion_tensor, pipes
 from generic_fns.diffusion_tensor import diff_data_exists
@@ -39,7 +40,7 @@
 from multi import Processor_box
 from multi_processor_commands import MF_grid_command, MF_memo, 
MF_minimise_command
 from physical_constants import h_bar, mu0, return_gyromagnetic_ratio
-from relax_errors import RelaxError, RelaxInfError, RelaxLenError, 
RelaxNaNError, RelaxNoModelError, RelaxNoPdbError, RelaxNoResError, 
RelaxNoSequenceError, RelaxNoTensorError, RelaxNoValueError, 
RelaxNoVectorsError, RelaxNucleusError, RelaxProtonTypeError, 
RelaxSpinTypeError
+from relax_errors import RelaxError, RelaxInfError, RelaxLenError, 
RelaxMultiVectorError, RelaxNaNError, RelaxNoModelError, RelaxNoPdbError, 
RelaxNoResError, RelaxNoSequenceError, RelaxNoTensorError, RelaxNoValueError, 
RelaxNoVectorsError, RelaxNucleusError, RelaxProtonTypeError, 
RelaxSpinTypeError
 from relax_warnings import RelaxWarning
 
 
@@ -1273,6 +1274,10 @@
             # Test if unit vectors exist.
             if model_type != 'local_tm' and cdp.diff_tensor.type != 'sphere' 
and not hasattr(spin, 'xh_vect'):
                 raise RelaxNoVectorsError
+
+            # Test if multiple unit vectors exist.
+            if model_type != 'local_tm' and cdp.diff_tensor.type != 'sphere' 
and hasattr(spin, 'xh_vect') and arg_check.is_num_list(spin.xh_vect[0]):
+                raise RelaxMultiVectorError
 
             # Test if the spin type has been set.
             if not hasattr(spin, 'heteronuc_type'):