示例#1
0
END_TEST

START_TEST (test_selector) 
{
    set_fail_freq(1000000);
    freesasa_parameters p = freesasa_default_parameters;
    p.shrake_rupley_n_points = 10;
    FILE *file = fopen(DATADIR "1ubq.pdb", "r");
    freesasa_structure *s = freesasa_structure_from_pdb(file, NULL, 0);
    freesasa_result *result = freesasa_calc_structure(s, NULL);
    double area;
    char name[FREESASA_MAX_SELECTION_NAME];

    freesasa_set_verbosity(FREESASA_V_SILENT);
    for (int i = 1; i < 17; ++i) { 
        /* This is a pretty short expression. Have not verified that
           it's actually exactly 17 memory allocations, but we have
           success with a frequencey of 18, and 17 seems about right. */
        set_fail_freq(i);
        ck_assert_int_eq(freesasa_select_area("s, resn ALA and not resi 1-20", name, &area, s, result),
                         FREESASA_FAIL); // this expression should come across most allocations
    }
    freesasa_set_verbosity(FREESASA_V_NORMAL);
    fclose(file);
    freesasa_result_free(result);
    freesasa_structure_free(s);
}
示例#2
0
END_TEST

START_TEST (test_api) 
{
    freesasa_parameters p = freesasa_default_parameters;
    p.shrake_rupley_n_points = 20; // so the loop below will be fast

    freesasa_set_verbosity(FREESASA_V_SILENT);
    for (int i = 1; i < 50; ++i) {
        p.alg = FREESASA_SHRAKE_RUPLEY;
        set_fail_freq(i);
        ck_assert_int_eq(freesasa_calc(&coord, r, &p), NULL);
        p.alg = FREESASA_LEE_RICHARDS; 
        set_fail_freq(i);
        ck_assert_int_eq(freesasa_calc(&coord, r, &p), NULL);
    }

    FILE *file = fopen(DATADIR "1ubq.pdb","r");
    set_fail_freq(10000);
    freesasa_structure *s=freesasa_structure_from_pdb(file, NULL, 0);
    ck_assert_ptr_ne(s,NULL);
    for (int i = 1; i < 256; i *= 2) { //try to spread it out without doing too many calculations
        set_fail_freq(i);
        ck_assert_ptr_eq(freesasa_calc_structure(s, NULL), NULL);
        set_fail_freq(i);
        ck_assert_ptr_eq(freesasa_structure_get_chains(s, "A"), NULL);
    }
    set_fail_freq(1);
    freesasa_structure_free(s);
    fclose(file);
    freesasa_set_verbosity(FREESASA_V_NORMAL);
}
示例#3
0
END_TEST

START_TEST (test_memerr) {
    FILE *file = fopen(DATADIR "1ubq.pdb","r");
    freesasa_structure *structure = freesasa_structure_from_pdb(file, NULL, 0);
    freesasa_result *result = freesasa_calc_structure(structure, NULL);
    freesasa_node *rn;
    freesasa_set_verbosity(FREESASA_V_SILENT);
    rn = freesasa_tree_new();
    for (int i = 1; i < 200; ++i) {
        int ret;
        set_fail_after(i);
        ret = freesasa_tree_add_result(rn, result, structure, "test");
        set_fail_after(0);
        ck_assert_int_eq(ret, FREESASA_FAIL);
    }
    freesasa_set_verbosity(FREESASA_V_NORMAL);
    freesasa_structure_free(structure);
    freesasa_result_free(result);
    fclose(file);
} END_TEST
示例#4
0
static void teardown(void) 
{
    freesasa_structure_free(structure);
    freesasa_result_free(result);
    freesasa_strvp_free(svp);
}