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trexio/tests/io_dset_str_hdf5.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_HDF5
#define TREXIO_FILE "test_dset_s.h5"
#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, &rc);
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, &rc);
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, &rc);
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;
}