#include "trexio.h" #include #include #include #include #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