mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-07-22 18:57:39 +02:00
135 lines
3.1 KiB
C
135 lines
3.1 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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#define TEST_BACKEND TREXIO_TEXT
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#define TREXIO_FILE "test_dset_i.dir"
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#define RM_COMMAND "rm -rf " TREXIO_FILE
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static int test_write_dset (const char* file_name, const back_end_t backend) {
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/* Try to write a dataset with numerical (int) values 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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int nucl_index[12] = {0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11};
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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_basis_shell_num(file, num);
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assert (rc == TREXIO_SUCCESS);
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// write numerical (integer) dataset in a file
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rc = trexio_write_basis_nucleus_index(file, nucl_index);
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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 (const char* file_name, const back_end_t backend) {
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/* Try to check the existence of a dataset 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 exists
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rc = trexio_has_basis_nucleus_index(file);
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assert (rc == TREXIO_SUCCESS);
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// check that another dataset does not exist
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rc = trexio_has_mo_coefficient(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 (const char* file_name, const back_end_t backend) {
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/* Try to read a dataset with numericali (int) values 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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int* nucl_index;
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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_basis_shell_num(file, &num);
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assert (rc == TREXIO_SUCCESS);
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assert (num == 12);
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// read numerical dataset from the file
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nucl_index = (int*) calloc(num, sizeof(int));
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rc = trexio_read_basis_nucleus_index(file, nucl_index);
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assert (rc == TREXIO_SUCCESS);
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assert (nucl_index[num-1] == num-1);
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free(nucl_index);
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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 (TREXIO_FILE, TEST_BACKEND);
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test_has_dset (TREXIO_FILE, TEST_BACKEND);
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test_read_dset (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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