Author: bugman
Date: Tue Aug 26 09:06:32 2014
New Revision: 25261
URL: http://svn.gna.org/viewcvs/relax?rev=25261&view=rev
Log:
Implementation of the specific_analyses.relax_fit.optimisation.dfunc_wrapper()
function.
This interfaces with the target_functions.relax_fit C module and converts the
gradient from a Python
list to a numpy array.
Modified:
trunk/specific_analyses/relax_fit/optimisation.py
Modified: trunk/specific_analyses/relax_fit/optimisation.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_fit/optimisation.py?rev=25261&r1=25260&r2=25261&view=diff
==============================================================================
--- trunk/specific_analyses/relax_fit/optimisation.py (original)
+++ trunk/specific_analyses/relax_fit/optimisation.py Tue Aug 26 09:06:32 2014
@@ -22,13 +22,16 @@
# Module docstring.
"""The R1 and R2 exponential relaxation curve fitting optimisation
functions."""
+# Python module imports.
+from numpy import array, float64
+
# relax module imports.
from dep_check import C_module_exp_fn
from specific_analyses.relax_fit.parameters import assemble_param_vector
# C modules.
if C_module_exp_fn:
- from target_functions.relax_fit import setup, func, back_calc_I
+ from target_functions.relax_fit import setup, func, dfunc, back_calc_I
def back_calc(spin=None, relax_time_id=None):
@@ -97,6 +100,12 @@
The currently does nothing.
"""
+ # Call the C code.
+ dchi2 = dfunc(params.tolist())
+
+ # Return the chi2 gradient as a numpy array.
+ return array(dchi2, float64)
+
def d2func_wrapper(params):
"""Wrapper function for the C module, for converting numpy arrays.
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