example.c

Go to the documentation of this file.

#include <stdlib.h>
#include <stdio.h>
#include "freesasa.h"

int main(int argc, char **argv) {
    freesasa_structure *structure = NULL;
    freesasa_result *result = NULL;
    freesasa_strvp *class_area = NULL;

    /* Read structure from stdin */
    structure = freesasa_structure_from_pdb(stdin,NULL,0);

    /* Calculate SASA using structure */
    if (structure) {
        result = freesasa_calc_structure(structure,NULL);
    }

    /* Calculate area of classes (Polar/Apolar/..) */
    if (result) {
        class_area = freesasa_result_classify(result,structure,NULL);
    }
    
    /* Print results */
    if (class_area) {
        printf("Total area : %f A2\n",result->total);
        for (int i = 0; i < class_area->n; ++i)
            printf("%s : %f A2\n",class_area->string[i],
                   class_area->value[i]);
    } else {
        /* If there was an error at any step, we will end up here */
        printf("Error calculating SASA\n");
    }

    /* Free allocated resources */
    freesasa_strvp_free(class_area);
    freesasa_result_free(result);
    freesasa_structure_free(structure);

    return EXIT_SUCCESS;
}