mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-07-22 10:47:43 +02:00
154 lines
3.7 KiB
C
154 lines
3.7 KiB
C
#include "trexio.h"
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#include <assert.h>
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#include <stdio.h>
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#include <stdlib.h>
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#include <string.h>
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static int test_write_dset_str (const char* file_name, const back_end_t backend) {
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/* Try to write an array of strings into the TREXIO file */
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trexio_t* file = NULL;
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trexio_exit_code rc;
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// parameters to be written
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int num = 12;
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const char* labels[] = {"C" ,
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"Na FAKE" ,
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"C" ,
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"C" ,
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"C" ,
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"C" ,
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"H" ,
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"H" ,
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"H" ,
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"H" ,
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"H" ,
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"H FAKE" };
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/*================= START OF TEST ==================*/
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// open file in 'write' mode
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file = trexio_open(file_name, 'w', backend, &rc);
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assert (file != NULL);
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// write numerical attribute in an empty file
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rc = trexio_write_nucleus_num(file, num);
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assert (rc == TREXIO_SUCCESS);
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// write dataset of string in the file (including FAKE statements)
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int max_str_len = 16;
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rc = trexio_write_nucleus_label(file, labels, max_str_len);
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assert (rc == TREXIO_SUCCESS);
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// close current session
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rc = trexio_close(file);
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assert (rc == TREXIO_SUCCESS);
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/*================= END OF TEST ==================*/
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return 0;
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}
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static int test_has_dset_str (const char* file_name, const back_end_t backend) {
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/* Try to check the existence of a dataset of strings in the TREXIO file */
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trexio_t* file = NULL;
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trexio_exit_code rc;
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/*================= START OF TEST ==================*/
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// open file
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file = trexio_open(file_name, 'r', backend, &rc);
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assert (file != NULL);
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// check that the previously written dataset of strings exists
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rc = trexio_has_nucleus_label(file);
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assert (rc == TREXIO_SUCCESS);
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// check that the dataset of strings does not exist
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rc = trexio_has_mo_symmetry(file);
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assert (rc == TREXIO_HAS_NOT);
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// close current session
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rc = trexio_close(file);
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assert (rc == TREXIO_SUCCESS);
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/*================= END OF TEST ==================*/
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return 0;
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}
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static int test_read_dset_str (const char* file_name, const back_end_t backend) {
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/* Try to read a dataset with strings from the TREXIO file */
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trexio_t* file = NULL;
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trexio_exit_code rc;
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// parameters to be read
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int num;
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char** labels;
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/*================= START OF TEST ==================*/
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// open file in 'read' mode
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file = trexio_open(file_name, 'r', backend, &rc);
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assert (file != NULL);
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// read numerical attribute from the file
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rc = trexio_read_nucleus_num(file, &num);
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assert (rc == TREXIO_SUCCESS);
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assert (num == 12);
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// read the arrays of strings truncated to max_str_len=2 symbols
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int max_str_len = 2;
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labels = (char**) malloc(num*sizeof(char*));
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for (int i=0; i<num; i++){
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labels[i] = (char*) malloc((max_str_len+1)*sizeof(char));
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}
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rc = trexio_read_nucleus_label(file, labels, max_str_len);
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assert (rc == TREXIO_SUCCESS);
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assert (strcmp(labels[0], "C") == 0);
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assert (strcmp(labels[1], "Na") == 0);
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for (int i=0; i<num; i++){
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free(labels[i]);
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}
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free(labels);
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// close current session
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rc = trexio_close(file);
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assert (rc == TREXIO_SUCCESS);
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/*================= END OF TEST ==================*/
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return 0;
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}
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int main(void) {
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/*============== Test launcher ================*/
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int rc;
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rc = system(RM_COMMAND);
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assert (rc == 0);
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test_write_dset_str (TREXIO_FILE, TEST_BACKEND);
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test_has_dset_str (TREXIO_FILE, TEST_BACKEND);
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test_read_dset_str (TREXIO_FILE, TEST_BACKEND);
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rc = system(RM_COMMAND);
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assert (rc == 0);
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return 0;
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}
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