Re: r8992 - in /branches/relax_disp/maths_fns: dispersion.c dispersion.h relax_disp.c relax_disp.h -- March 24, 2009 - 20:04

Ah, the C coding part.  The Segfaults will be fun to debug!  I won't
be much use, I'll be out of action until May.

Bye,

Edward


On Tue, Mar 24, 2009 at 7:30 PM,  <sebastien.morin.1@xxxxxxxxx> wrote:
> 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;*/
>
>
>
>
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