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);
}
static void
test_select(const char **command,int n_commands)
{
for (int i = 0; i < n_commands; ++i)
ck_assert_int_eq(freesasa_select_area(command[i],selection_name[i],value+i,structure,result),
FREESASA_SUCCESS);
}
END_TEST
START_TEST (test_syntax_error)
{
double a;
char s[FREESASA_MAX_SELECTION_NAME+1];
const char *err[] = {"","a","a,","a,b",
// no selection arg
"a,resi","a,resn","a,name","a,symbol","a,chain",
// no name of selection
",resn ala",",resi 1",",name ca",", symbol c",",chain a",
"resn ala","resi 1","name ca","symbol c","chain a",
// comma wrong place, no name
"resn, ala","resi, 1","name, ca","symbol, c","chain, a",
// ranges (-) used where not allowed
"a, resn ala-arg", "a, name ca-cb","a, symbol c-o",
"a, resi 1-2-3",
// trailing +-
"a, resn ala+", "a, resn ala+arg+", "a, resi 1-",
"a, resi 1-", "a, resi 1-2+","a, resi 1+2-5+",
// boolean operators
"a, (resn ala) AND","a,(resn ala) OR","a,(resn ala) OR NOT",
"a, (resn ala) AND arg","a,(resn ala) OR arg",
"a, (resn ala) OR NOT arg",
"a, ala OR resn arg",
};
int n = sizeof(err)/sizeof(char*);
freesasa_set_verbosity(FREESASA_V_SILENT);
for (int i = 0; i < n; ++i) {
ck_assert_int_eq(freesasa_select_area(err[i],s,&a,structure,result),FREESASA_FAIL);
}
freesasa_set_verbosity(FREESASA_V_NORMAL);
} END_TEST
} END_TEST
// check that some complex constructs don't cause errors, but no checks for valid selection
START_TEST (test_complex_syntax)
{
double a;
char s[FREESASA_MAX_SELECTION_NAME+1];
const char *stmt[] = {"a, (resn ala AND resi 1-3) OR (NOT chain A+B AND (symbol C OR symbol O))",
"a, NOT symbol SE+C AND NOT resi 5-7+1+6-8+100+200+10-11"
};
int n = sizeof(stmt)/sizeof(char*);
freesasa_set_verbosity(FREESASA_V_SILENT);
for (int i = 0; i < n; ++i) {
ck_assert_int_eq(freesasa_select_area(stmt[i],s,&a,structure,result),FREESASA_SUCCESS);
}
freesasa_set_verbosity(FREESASA_V_NORMAL);
} END_TEST
