Author: bugman
Date: Thu Mar 16 05:42:41 2006
New Revision: 2391
URL: http://svn.gna.org/viewcvs/relax?rev=2391&view=rev
Log:
Merged the fixes to the relaxation curve-fitting C modules from the
'c_modules' branch to the main
development line '1.2'. Revisions r2386:2390 of 'c_modules' were merged.
Modified:
1.2/maths_fns/c_chi2.c
1.2/maths_fns/exponential.c
1.2/maths_fns/relax_fit.c
1.2/maths_fns/relax_fit.h
Modified: 1.2/maths_fns/c_chi2.c
URL:
http://svn.gna.org/viewcvs/relax/1.2/maths_fns/c_chi2.c?rev=2391&r1=2390&r2=2391&view=diff
==============================================================================
--- 1.2/maths_fns/c_chi2.c (original)
+++ 1.2/maths_fns/c_chi2.c Thu Mar 16 05:42:41 2006
@@ -44,14 +44,14 @@
*/
/* Declarations */
- extern int *num_times;
+ extern int num_times;
extern double *values, *sd;
extern double back_calc[];
int i;
double chi2 = 0.0;
/* Loop over the time points and sum the chi-squared components */
- for (i = 0; i < (int)num_times; ++i) {
+ for (i = 0; i < num_times; ++i) {
chi2 = chi2 + square((values[i] - back_calc[i]) / sd[i]);
}
Modified: 1.2/maths_fns/exponential.c
URL:
http://svn.gna.org/viewcvs/relax/1.2/maths_fns/exponential.c?rev=2391&r1=2390&r2=2391&view=diff
==============================================================================
--- 1.2/maths_fns/exponential.c (original)
+++ 1.2/maths_fns/exponential.c Thu Mar 16 05:42:41 2006
@@ -35,7 +35,7 @@
*/
/* Declarations */
- extern int *num_times;
+ extern int num_times;
extern double *params, *relax_times;
extern double back_calc[];
double Rx, I0;
@@ -44,7 +44,7 @@
/* Loop over the time points */
/* for (i = 0; i < num_times; i++) { */
- for (i = 0; i < (int)num_times; i++) {
+ for (i = 0; i < num_times; i++) {
/* Zero Rx value */
if (params[0] == 0.0)
back_calc[i] = 0.0;
Modified: 1.2/maths_fns/relax_fit.c
URL:
http://svn.gna.org/viewcvs/relax/1.2/maths_fns/relax_fit.c?rev=2391&r1=2390&r2=2391&view=diff
==============================================================================
--- 1.2/maths_fns/relax_fit.c (original)
+++ 1.2/maths_fns/relax_fit.c Thu Mar 16 05:42:41 2006
@@ -33,19 +33,18 @@
setup(PyObject *self, PyObject *args, PyObject *keywords) {
/* Python declarations */
PyObject *values_arg, *sd_arg, *relax_times_arg, *scaling_matrix_arg;
- extern PyArrayObject *numpy_values, *numpy_sd, *numpy_relax_times,
*numpy_scaling_matrix;
+ PyArrayObject *numpy_values, *numpy_sd, *numpy_relax_times,
*numpy_scaling_matrix;
/* Normal declarations */
extern double *values, *sd, *relax_times, *scaling_matrix;
- extern double *relax_time_array;
- extern int *num_params, *num_times;
+ extern double relax_time_array;
+ extern int num_params, num_times;
/* The keyword list */
static char *keyword_list[] = {"num_params", "num_times", "values",
"sd", "relax_times", "scaling_matrix", NULL};
-
/* Parse the function arguments */
- if (!PyArg_ParseTupleAndKeywords(args, keywords, "iiOOOO", keyword_list,
&num_params, &num_times, &values_arg, &sd, &relax_times_arg,
&scaling_matrix_arg))
+ if (!PyArg_ParseTupleAndKeywords(args, keywords, "iiOOOO", keyword_list,
&num_params, &num_times, &values_arg, &sd_arg, &relax_times_arg,
&scaling_matrix_arg))
return NULL;
/* Make the Numeric arrays contiguous */
@@ -128,7 +127,7 @@
/* Test code (convert aaa to a Numeric array */
/* aaa_numpy = (PyArrayObject *) PyArray_FromDimsAndData(1, num_params,
PyArray_DOUBLE, aaa_pointer); */
- aaa_numpy = (PyArrayObject *) PyArray_FromDims(1, num_params,
PyArray_DOUBLE);
+ aaa_numpy = (PyArrayObject *) PyArray_FromDims(1, &num_params,
PyArray_DOUBLE);
aaa_pointer = (double *) aaa_numpy->data;
/* Fill the Numeric array */
@@ -152,14 +151,14 @@
/* Declarations */
extern double back_calc[];
- extern int *num_times;
+ extern int num_times;
int i;
- PyObject *back_calc_py = PyList_New((int)num_times);
+ PyObject *back_calc_py = PyList_New(num_times);
assert(PyList_Check(back_calc_py));
/* Copy the values out of the C array into the Python array */
- for (i = 0; i < (int)num_times; i++)
+ for (i = 0; i < num_times; i++)
PyList_SetItem(back_calc_py, i, Py_BuildValue("f", back_calc[i]));
/* Return the Numeric array */
Modified: 1.2/maths_fns/relax_fit.h
URL:
http://svn.gna.org/viewcvs/relax/1.2/maths_fns/relax_fit.h?rev=2391&r1=2390&r2=2391&view=diff
==============================================================================
--- 1.2/maths_fns/relax_fit.h (original)
+++ 1.2/maths_fns/relax_fit.h Thu Mar 16 05:42:41 2006
@@ -37,7 +37,7 @@
/* Variables sent to the setup function to be stored for later use */
PyArrayObject *numpy_values, *numpy_sd, *numpy_relax_times,
*numpy_scaling_matrix;
-int *num_params, *num_times;
+int num_params, num_times;
double *sd;
/* Variables sent to 'func', 'dfunc', and 'd2func' during optimisation */
r2391 - in /1.2/maths_fns: c_chi2.c exponential.c relax_fit.c relax_fit.h