mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-07-22 10:47:43 +02:00
162 lines
4.2 KiB
C
162 lines
4.2 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 <stdint.h>
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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 floating point values into the TREXIO file using safe API */
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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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double coord[36] = {
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0.00000000 , 1.39250319 , 0.00000000 ,
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-1.20594314 , 0.69625160 , 0.00000000 ,
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-1.20594314 , -0.69625160 , 0.00000000 ,
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0.00000000 , -1.39250319 , 0.00000000 ,
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1.20594314 , -0.69625160 , 0.00000000 ,
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1.20594314 , 0.69625160 , 0.00000000 ,
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-2.14171677 , 1.23652075 , 0.00000000 ,
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-2.14171677 , -1.23652075 , 0.00000000 ,
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0.00000000 , -2.47304151 , 0.00000000 ,
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2.14171677 , -1.23652075 , 0.00000000 ,
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2.14171677 , 1.23652075 , 0.00000000 ,
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0.00000000 , 2.47304151 , 0.00000000 ,
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};
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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 numerical dataset with an unsafe dimension
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* this should return TREXIO_UNSAFE_ARRAY_DIM indicating
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* that access beyong allocated memory is likely to occur */
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uint64_t dim_unsafe = num * 12;
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rc = trexio_write_safe_nucleus_coord(file, coord, dim_unsafe);
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assert (rc == TREXIO_UNSAFE_ARRAY_DIM);
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/* write numerical dataset with a safe dimension
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* this should return TREXIO_SUCCESS */
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uint64_t dim_safe = num * 3;
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rc = trexio_write_safe_nucleus_coord(file, coord, dim_safe);
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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 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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// check that the previously written dataset exists
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rc = trexio_has_nucleus_coord(file);
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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_read_dset (const char* file_name, const back_end_t backend) {
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/* Try to read a dataset with floating point values from the TREXIO file using safe API */
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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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double* coord;
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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 numerical (floating point) dataset from the file
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coord = (double*) calloc(3*num, sizeof(double));
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/* write numerical dataset with an unsafe dimension
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* this should return TREXIO_UNSAFE_ARRAY_DIM indicating
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* that access beyong allocated memory is likely to occur */
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uint64_t dim_unsafe = num * 12;
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rc = trexio_read_safe_nucleus_coord(file, coord, dim_unsafe);
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assert (rc == TREXIO_UNSAFE_ARRAY_DIM);
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/* write numerical dataset with a safe dimension
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* this should return TREXIO_SUCCESS */
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uint64_t dim_safe = num * 3;
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rc = trexio_read_safe_nucleus_coord(file, coord, dim_safe);
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assert (rc == TREXIO_SUCCESS);
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double x = coord[30] - 2.14171677;
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assert( x*x < 1.e-14 );
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free(coord);
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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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