mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-12-22 20:35:44 +01:00
86 lines
2.1 KiB
C
86 lines
2.1 KiB
C
#include "trexio.h"
|
|
#include <assert.h>
|
|
#include <stdio.h>
|
|
#include <stdlib.h>
|
|
|
|
static int test_write_delete_group (const char* file_name, const back_end_t backend) {
|
|
|
|
/* Try to write a dimensioning attribute (num variable) into the TREXIO file */
|
|
|
|
trexio_t* file = NULL;
|
|
trexio_exit_code rc;
|
|
|
|
// parameters to be written
|
|
int num = 12;
|
|
double coord[36] = {
|
|
0.00000000 , 1.39250319 , 0.00000000 ,
|
|
-1.20594314 , 0.69625160 , 0.00000000 ,
|
|
-1.20594314 , -0.69625160 , 0.00000000 ,
|
|
0.00000000 , -1.39250319 , 0.00000000 ,
|
|
1.20594314 , -0.69625160 , 0.00000000 ,
|
|
1.20594314 , 0.69625160 , 0.00000000 ,
|
|
-2.14171677 , 1.23652075 , 0.00000000 ,
|
|
-2.14171677 , -1.23652075 , 0.00000000 ,
|
|
0.00000000 , -2.47304151 , 0.00000000 ,
|
|
2.14171677 , -1.23652075 , 0.00000000 ,
|
|
2.14171677 , 1.23652075 , 0.00000000 ,
|
|
0.00000000 , 2.47304151 , 0.00000000 ,
|
|
};
|
|
|
|
/*================= START OF TEST ==================*/
|
|
|
|
// open file in 'write' mode
|
|
file = trexio_open(file_name, 'w', backend, &rc);
|
|
assert (file != NULL);
|
|
|
|
// write numerical attribute in an empty file
|
|
rc = trexio_write_nucleus_num(file, num);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// write numerical dataset in a file
|
|
rc = trexio_write_nucleus_coord(file, coord);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// write numerical attribute ao_cartesian as 0
|
|
rc = trexio_write_ao_cartesian(file, 0);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// close current session
|
|
rc = trexio_close(file);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// open file in 'unsafe' mode
|
|
file = trexio_open(file_name, 'u', backend, &rc);
|
|
assert (file != NULL);
|
|
|
|
// delete a previously written group
|
|
rc = trexio_delete_nucleus(file);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// 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_delete_group (TREXIO_FILE, TEST_BACKEND);
|
|
|
|
rc = system(RM_COMMAND);
|
|
assert (rc == 0);
|
|
|
|
return 0;
|
|
}
|