mailr11368 - in /1.3/generic_fns: pcs.py rdc.py


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Posted by edward on July 27, 2010 - 15:13:
Author: bugman
Date: Tue Jul 27 15:13:12 2010
New Revision: 11368

URL: http://svn.gna.org/viewcvs/relax?rev=11368&view=rev
Log:
The loading of RDCs and PCSs for non-existent spins now only throws a 
RelaxWarning.

Rather than throwing a RelaxError, this allows for partial loading of 
alignment data for certain
regions of the molecule.


Modified:
    1.3/generic_fns/pcs.py
    1.3/generic_fns/rdc.py

Modified: 1.3/generic_fns/pcs.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/pcs.py?rev=11368&r1=11367&r2=11368&view=diff
==============================================================================
--- 1.3/generic_fns/pcs.py (original)
+++ 1.3/generic_fns/pcs.py Tue Jul 27 15:13:12 2010
@@ -36,9 +36,9 @@
 from generic_fns.mol_res_spin import exists_mol_res_spin_data, return_spin, 
spin_loop
 from maths_fns.pcs import ave_pcs_tensor
 from physical_constants import g1H, pcs_constant
-from relax_errors import RelaxError, RelaxNoPdbError, RelaxNoSequenceError, 
RelaxNoSpinError
+from relax_errors import RelaxError, RelaxNoPdbError, RelaxNoSequenceError
 from relax_io import open_write_file, read_spin_data, write_spin_data
-from relax_warnings import RelaxWarning
+from relax_warnings import RelaxWarning, RelaxNoSpinWarning
 
 
 def back_calc(align_id=None):
@@ -444,7 +444,8 @@
         # Get the corresponding spin container.
         spin = return_spin([id, spin_id])
         if spin == None:
-            raise RelaxNoSpinError(id)
+            warn(RelaxNoSpinWarning(id))
+            continue
 
         # Add the data.
         if data_col:

Modified: 1.3/generic_fns/rdc.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/rdc.py?rev=11368&r1=11367&r2=11368&view=diff
==============================================================================
--- 1.3/generic_fns/rdc.py (original)
+++ 1.3/generic_fns/rdc.py Tue Jul 27 15:13:12 2010
@@ -36,9 +36,9 @@
 from generic_fns.mol_res_spin import exists_mol_res_spin_data, return_spin, 
spin_loop
 from maths_fns.rdc import ave_rdc_tensor
 from physical_constants import dipolar_constant, return_gyromagnetic_ratio
-from relax_errors import RelaxError, RelaxNoRDCError, RelaxNoSequenceError, 
RelaxNoSpinError, RelaxSpinTypeError
+from relax_errors import RelaxError, RelaxNoRDCError, RelaxNoSequenceError, 
RelaxSpinTypeError
 from relax_io import open_write_file, read_spin_data, write_spin_data
-from relax_warnings import RelaxWarning
+from relax_warnings import RelaxWarning, RelaxNoSpinWarning
 
 
 def back_calc(align_id=None):
@@ -398,7 +398,8 @@
         # Get the corresponding spin container.
         spin = return_spin([id, spin_id])
         if spin == None:
-            raise RelaxNoSpinError(id)
+            warn(RelaxNoSpinWarning(id))
+            continue
 
         # Add the data.
         if data_col:




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