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
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