mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-08-25 06:31:43 +02:00
158 lines
3.8 KiB
C
158 lines
3.8 KiB
C
#include "trexio.h"
|
|
#include <assert.h>
|
|
#include <stdio.h>
|
|
#include <stdlib.h>
|
|
#include <string.h>
|
|
|
|
#define TEST_BACKEND TREXIO_TEXT
|
|
#define TREXIO_FILE "test_dset_s.dir"
|
|
#define RM_COMMAND "rm -rf " TREXIO_FILE
|
|
|
|
static int test_write_dset_str (const char* file_name, const back_end_t backend) {
|
|
|
|
/* Try to write an array of strings into the TREXIO file */
|
|
|
|
trexio_t* file = NULL;
|
|
trexio_exit_code rc;
|
|
|
|
// parameters to be written
|
|
int num = 12;
|
|
const char* labels[] = {"C" ,
|
|
"Na FAKE" ,
|
|
"C" ,
|
|
"C" ,
|
|
"C" ,
|
|
"C" ,
|
|
"H" ,
|
|
"H" ,
|
|
"H" ,
|
|
"H" ,
|
|
"H" ,
|
|
"H FAKE" };
|
|
|
|
/*================= START OF TEST ==================*/
|
|
|
|
// open file in 'write' mode
|
|
file = trexio_open(file_name, 'w', backend);
|
|
assert (file != NULL);
|
|
|
|
// write numerical attribute in an empty file
|
|
rc = trexio_write_nucleus_num(file, num);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// write dataset of string in the file (including FAKE statements)
|
|
int max_str_len = 16;
|
|
rc = trexio_write_nucleus_label(file, labels, max_str_len);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// close current session
|
|
rc = trexio_close(file);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
/*================= END OF TEST ==================*/
|
|
|
|
return 0;
|
|
}
|
|
|
|
|
|
static int test_has_dset_str (const char* file_name, const back_end_t backend) {
|
|
|
|
/* Try to check the existence of a dataset of strings in the TREXIO file */
|
|
|
|
trexio_t* file = NULL;
|
|
trexio_exit_code rc;
|
|
|
|
/*================= START OF TEST ==================*/
|
|
|
|
// open file
|
|
file = trexio_open(file_name, 'r', backend);
|
|
assert (file != NULL);
|
|
|
|
// check that the previously written dataset of strings exists
|
|
rc = trexio_has_nucleus_label(file);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// check that the dataset of strings does not exist
|
|
rc = trexio_has_mo_symmetry(file);
|
|
assert (rc == TREXIO_HAS_NOT);
|
|
|
|
// close current session
|
|
rc = trexio_close(file);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
/*================= END OF TEST ==================*/
|
|
|
|
return 0;
|
|
}
|
|
|
|
|
|
static int test_read_dset_str (const char* file_name, const back_end_t backend) {
|
|
|
|
/* Try to read a dataset with strings from the TREXIO file */
|
|
|
|
trexio_t* file = NULL;
|
|
trexio_exit_code rc;
|
|
|
|
// parameters to be read
|
|
int num;
|
|
char **labels;
|
|
|
|
/*================= START OF TEST ==================*/
|
|
|
|
// open file in 'read' mode
|
|
file = trexio_open(file_name, 'r', backend);
|
|
assert (file != NULL);
|
|
|
|
// read numerical attribute from the file
|
|
rc = trexio_read_nucleus_num(file, &num);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
assert (num == 12);
|
|
|
|
// read the arrays of strings truncated to max_str_len=2 symbols
|
|
int max_str_len = 2;
|
|
|
|
labels = (char**) malloc(num*sizeof(char*));
|
|
for (int i=0; i<num; i++){
|
|
labels[i] = (char*) malloc((max_str_len+1)*sizeof(char));
|
|
}
|
|
|
|
rc = trexio_read_nucleus_label(file, labels, max_str_len);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
assert (strcmp(labels[0], "C") == 0);
|
|
assert (strcmp(labels[1], "Na") == 0);
|
|
|
|
for (int i=0; i<num; i++){
|
|
free(labels[i]);
|
|
}
|
|
free(labels);
|
|
|
|
// close current session
|
|
rc = trexio_close(file);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
/*================= END OF TEST ==================*/
|
|
|
|
return 0;
|
|
}
|
|
|
|
|
|
int main(void) {
|
|
|
|
/*============== Test launcher ================*/
|
|
|
|
int rc;
|
|
rc = system(RM_COMMAND);
|
|
assert (rc == 0);
|
|
|
|
test_write_dset_str (TREXIO_FILE, TEST_BACKEND);
|
|
test_has_dset_str (TREXIO_FILE, TEST_BACKEND);
|
|
test_read_dset_str (TREXIO_FILE, TEST_BACKEND);
|
|
|
|
rc = system(RM_COMMAND);
|
|
assert (rc == 0);
|
|
|
|
return 0;
|
|
}
|
|
|
|
|