#include "trexio.h" #include #include #include #define TEST_BACKEND TREXIO_HDF5 #define TREXIO_FILE "test_dset_i.h5" #define RM_COMMAND "rm -rf " TREXIO_FILE static int test_write_dset (const char* file_name, const back_end_t backend) { /* Try to write a dataset with numerical (int) values into the TREXIO file */ trexio_t* file = NULL; trexio_exit_code rc; // parameters to be written int num = 12; int nucl_index[12] = {0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11}; /*================= 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_basis_shell_num(file, num); assert (rc == TREXIO_SUCCESS); // write numerical (integer) dataset in a file rc = trexio_write_basis_nucleus_index(file, nucl_index); 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 (const char* file_name, const back_end_t backend) { /* Try to check the existence of a dataset 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 group exists rc = trexio_has_basis(file); assert(rc==TREXIO_SUCCESS); // check that the group does not exist rc = trexio_has_mo(file); assert(rc==TREXIO_HAS_NOT); // check that the previously written dataset exists rc = trexio_has_basis_nucleus_index(file); assert (rc == TREXIO_SUCCESS); // check that another dataset does not exist rc = trexio_has_mo_coefficient(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 (const char* file_name, const back_end_t backend) { /* Try to read a dataset with numericali (int) values from the TREXIO file */ trexio_t* file = NULL; trexio_exit_code rc; // parameters to be read int num; int* nucl_index; /*================= 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_basis_shell_num(file, &num); assert (rc == TREXIO_SUCCESS); assert (num == 12); // read numerical dataset from the file nucl_index = (int*) calloc(num, sizeof(int)); rc = trexio_read_basis_nucleus_index(file, nucl_index); assert (rc == TREXIO_SUCCESS); assert (nucl_index[num-1] == num-1); free(nucl_index); // 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 (TREXIO_FILE, TEST_BACKEND); test_has_dset (TREXIO_FILE, TEST_BACKEND); test_read_dset (TREXIO_FILE, TEST_BACKEND); rc = system(RM_COMMAND); assert (rc == 0); return 0; }