/**
Read a line specifying an atom, store it in the config. Use
supplied types to add assign radius and class. Returns
FREESASA_WARN for duplicates. Returns FREESASA_FAIL for syntax
errors or memory allocation errors. FREESASA_SUCCESS else.
*/
static int
read_atoms_line(struct classifier_config *config,
const struct classifier_types *types,
const char* line)
{
size_t blen=100;
char buf1[blen], buf2[blen], buf3[blen];
int res, type, atom;
if (sscanf(line,"%s %s %s",buf1,buf2,buf3) == 3) {
type = find_string(types->name, buf3, types->n_types);
if (type < 0)
return freesasa_fail("Unknown atom type '%s' in line '%s'",buf3,line);
res = add_residue(config,buf1);
if (res == FREESASA_FAIL) return fail_msg("");
atom = add_atom(config->residue[res],
buf2,
types->type_radius[type],
types->type_class[type]);
if (atom == FREESASA_FAIL) return fail_msg("");
if (atom == FREESASA_WARN) return FREESASA_WARN;
} else {
return freesasa_fail("in %s(): Could not parse line '%s', expecting triplet of type "
"'RESIDUE ATOM CLASS', for example 'ALA CB C_ALI'.",
__func__, line);
}
return FREESASA_SUCCESS;
}
END_TEST
START_TEST (test_classifier)
{
freesasa_set_verbosity(FREESASA_V_SILENT);
set_fail_freq(1);
ck_assert_ptr_eq(classifier_types_new(),NULL);
ck_assert_ptr_eq(classifier_residue_new("A"),NULL);
ck_assert_ptr_eq(classifier_config_new(),NULL);
for (int i = 1; i < 5; ++i) {
set_fail_freq(10000);
struct classifier_types *types = classifier_types_new();
struct classifier_residue *res = classifier_residue_new("ALA");
struct classifier_config *cfg = classifier_config_new();
if (i < 3) {
set_fail_freq(i);
ck_assert_int_eq(add_class(types,"A"),FREESASA_FAIL);
set_fail_freq(i);
ck_assert_int_eq(add_type(types,"a","A",1.0),FREESASA_FAIL);
}
set_fail_freq(i);
ck_assert_int_eq(add_atom(res,"A",1.0,0),FREESASA_FAIL);
set_fail_freq(i);
ck_assert_int_eq(add_residue(cfg,"A"),FREESASA_FAIL);
classifier_types_free(types);
classifier_residue_free(res);
classifier_config_free(cfg);
}
// don't test all levels, but make sure errors in low level
// allocation propagates to the interface
FILE *config = fopen(SHAREDIR "naccess.config","r");
ck_assert_ptr_ne(config, NULL);
for (int i = 1; i < 50; ++i) {
set_fail_freq(i);
ck_assert_ptr_eq(freesasa_classifier_from_file(config),NULL);
rewind(config);
}
fclose(config);
freesasa_set_verbosity(FREESASA_V_NORMAL);
}
