r26852 - /trunk/specific_analyses/relax_fit/api.py -- November 29, 2014 - 18:58

Author: bugman
Date: Sat Nov 29 18:58:17 2014
New Revision: 26852

URL: http://svn.gna.org/viewcvs/relax?rev=26852&view=rev
Log:
Improved the checking in the relaxation curve-fitting analysis.

The new specific_analyses.relax_fit.checks.check_model_setup() function is 
now called prior to
minimisation and in the get_param_names() API method to prevent Python errors 
from occurring due to
missing data structures.  In addition, the pipe_control.mol_res_spin module 
function
exists_mol_res_spin_data() has been replaced with check_mol_res_spin_data().


Modified:
    trunk/specific_analyses/relax_fit/api.py

Modified: trunk/specific_analyses/relax_fit/api.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_fit/api.py?rev=26852&r1=26851&r2=26852&view=diff
==============================================================================
--- trunk/specific_analyses/relax_fit/api.py    (original)
+++ trunk/specific_analyses/relax_fit/api.py    Sat Nov 29 18:58:17 2014
@@ -37,9 +37,10 @@
 from lib.errors import RelaxError, RelaxNoModelError, RelaxNoSequenceError
 from lib.text.sectioning import subsection
 from lib.warnings import RelaxDeselectWarning
-from pipe_control.mol_res_spin import exists_mol_res_spin_data, return_spin, 
spin_loop
+from pipe_control.mol_res_spin import check_mol_res_spin_data, return_spin, 
spin_loop
 from specific_analyses.api_base import API_base
 from specific_analyses.api_common import API_common
+from specific_analyses.relax_fit.checks import check_model_setup
 from specific_analyses.relax_fit.optimisation import back_calc
 from specific_analyses.relax_fit.parameter_object import Relax_fit_params
 from specific_analyses.relax_fit.parameters import assemble_param_vector, 
disassemble_param_vector, linear_constraints
@@ -214,6 +215,9 @@
         @return:                The vector of parameter names.
         @rtype:                 list of str
         """
+
+        # Check that the model is setup.
+        check_model_setup()
 
         # Unpack the data.
         spin, spin_id = model_info
@@ -292,9 +296,8 @@
         @type inc:                  list of lists of int
         """
 
-        # Test if sequence data is loaded.
-        if not exists_mol_res_spin_data():
-            raise RelaxNoSequenceError
+        # Checks.
+        check_mol_res_spin_data()
 
         # Loop over the sequence.
         model_index = 0
@@ -474,9 +477,9 @@
         if verbose:
             print("\nOver-fit spin deselection:")
 
-        # Test the sequence data exists.
-        if not exists_mol_res_spin_data():
-            raise RelaxNoSequenceError
+        # Checks.
+        check_mol_res_spin_data()
+        check_model_setup()
 
         # Loop over spin data.
         deselect_flag = False