Author: semor
Date: Tue Mar 24 19:30:59 2009
New Revision: 8992
URL: http://svn.gna.org/viewcvs/relax?rev=8992&view=rev
Log:
Started to modify the C modules by changing a variable for relaxation
dispersion.
The code now goes further, but still much work is needed...
The change was:
relax_times -> cpmg_frqs
Modified:
branches/relax_disp/maths_fns/dispersion.c
branches/relax_disp/maths_fns/dispersion.h
branches/relax_disp/maths_fns/relax_disp.c
branches/relax_disp/maths_fns/relax_disp.h
Modified: branches/relax_disp/maths_fns/dispersion.c
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/maths_fns/dispersion.c?rev=8992&r1=8991&r2=8992&view=diff
==============================================================================
--- branches/relax_disp/maths_fns/dispersion.c (original)
+++ branches/relax_disp/maths_fns/dispersion.c Tue Mar 24 19:30:59 2009
@@ -31,7 +31,7 @@
-void dispersion(double *params, double *relax_times, double *back_calc, int
num_times) {
+void dispersion(double *params, double *cpmg_frqs, double *back_calc, int
num_times) {
/* Function to back calculate the effective transversal relaxation
rate (R2eff).
*/
@@ -49,7 +49,7 @@
/* Back calculate */
else
- back_calc[i] = params[1] * exp(-relax_times[i] * params[0]);
+ back_calc[i] = params[1] * exp(-cpmg_frqs[i] * params[0]);
}
}
Modified: branches/relax_disp/maths_fns/dispersion.h
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/maths_fns/dispersion.h?rev=8992&r1=8991&r2=8992&view=diff
==============================================================================
--- branches/relax_disp/maths_fns/dispersion.h (original)
+++ branches/relax_disp/maths_fns/dispersion.h Tue Mar 24 19:30:59 2009
@@ -22,6 +22,6 @@
#ifndef RELAX_DISPERSION
#define RELAX_DISPERSION
-void dispersion(double *params, double *relax_times, double *back_calc, int
num_times);
+void dispersion(double *params, double *cpmg_frqs, double *back_calc, int
num_times);
#endif
Modified: branches/relax_disp/maths_fns/relax_disp.c
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/maths_fns/relax_disp.c?rev=8992&r1=8991&r2=8992&view=diff
==============================================================================
--- branches/relax_disp/maths_fns/relax_disp.c (original)
+++ branches/relax_disp/maths_fns/relax_disp.c Tue Mar 24 19:30:59 2009
@@ -35,36 +35,36 @@
static PyObject *
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;
+ PyObject *values_arg, *sd_arg, *cpmg_frqs_arg, *scaling_matrix_arg;
+ extern PyArrayObject *numpy_values, *numpy_sd, *numpy_cpmg_frqs,
*numpy_scaling_matrix;
/* Normal declarations */
- extern double *values, *sd, *relax_times, *scaling_matrix;
+ extern double *values, *sd, *cpmg_frqs, *scaling_matrix;
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};
+ static char *keyword_list[] = {"num_params", "num_times", "values",
"sd", "cpmg_frqs", "scaling_matrix", NULL};
/* Parse the function arguments */
- if (!PyArg_ParseTupleAndKeywords(args, keywords, "iiOOOO", keyword_list,
&num_params, &num_times, &values_arg, &sd_arg, &relax_times_arg,
&scaling_matrix_arg))
+ if (!PyArg_ParseTupleAndKeywords(args, keywords, "iiOOOO", keyword_list,
&num_params, &num_times, &values_arg, &sd_arg, &cpmg_frqs_arg,
&scaling_matrix_arg))
return NULL;
Py_XDECREF(numpy_values);
Py_XDECREF(numpy_sd);
- Py_XDECREF(numpy_relax_times);
+ Py_XDECREF(numpy_cpmg_frqs);
Py_XDECREF(numpy_scaling_matrix);
/* Make the numpy arrays contiguous */
numpy_values = (PyArrayObject *)
PyArray_ContiguousFromObject(values_arg, PyArray_DOUBLE, 1, 1);
numpy_sd = (PyArrayObject *) PyArray_ContiguousFromObject(sd_arg,
PyArray_DOUBLE, 1, 1);
- numpy_relax_times = (PyArrayObject *)
PyArray_ContiguousFromObject(relax_times_arg, PyArray_DOUBLE, 1, 1);
+ numpy_cpmg_frqs = (PyArrayObject *)
PyArray_ContiguousFromObject(cpmg_frqs_arg, PyArray_DOUBLE, 1, 1);
numpy_scaling_matrix = (PyArrayObject *)
PyArray_ContiguousFromObject(scaling_matrix_arg, PyArray_DOUBLE, 2, 2);
/* Pointers to the numpy arrays */
values = (double *) numpy_values->data;
sd = (double *) numpy_sd->data;
- relax_times = (double *) numpy_relax_times->data;
+ cpmg_frqs = (double *) numpy_cpmg_frqs->data;
scaling_matrix = (double *) numpy_scaling_matrix->data;
/* Return nothing */
@@ -98,7 +98,7 @@
params = (double *) numpy_params->data;
/* Back calculated the peak intensities */
- dispersion(params, relax_times, back_calc, num_times);
+ dispersion(params, cpmg_frqs, back_calc, num_times);
Py_DECREF(numpy_params);
/* Calculate and return the chi-squared value */
@@ -132,7 +132,7 @@
params = (double *) numpy_params->data;
/* Back calculated the peak intensities */
- dispersion(params, relax_times, back_calc, num_times);
+ dispersion(params, cpmg_frqs, back_calc, num_times);
/* Test code (convert aaa to a numpy array */
Modified: branches/relax_disp/maths_fns/relax_disp.h
URL:
http://svn.gna.org/viewcvs/relax/branches/relax_disp/maths_fns/relax_disp.h?rev=8992&r1=8991&r2=8992&view=diff
==============================================================================
--- branches/relax_disp/maths_fns/relax_disp.h (original)
+++ branches/relax_disp/maths_fns/relax_disp.h Tue Mar 24 19:30:59 2009
@@ -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;
+PyArrayObject *numpy_values, *numpy_sd, *numpy_cpmg_frqs,
*numpy_scaling_matrix;
int num_params, num_times;
double *sd;
@@ -45,7 +45,7 @@
/*PyArrayObject *numpy_params;*/
/* Pointers to contiguous PyArrayObjects */
-double *values, *sd, *relax_times, *scaling_matrix;
+double *values, *sd, *cpmg_frqs, *scaling_matrix;
/*double *params;*/
r8992 - in /branches/relax_disp/maths_fns: dispersion.c dispersion.h relax_disp.c relax_disp.h