mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-12-22 20:35:44 +01:00
231 lines
6.7 KiB
C
231 lines
6.7 KiB
C
#include "trexio.h"
|
|
#include <assert.h>
|
|
#include <stdio.h>
|
|
#include <stdlib.h>
|
|
#include <stdint.h>
|
|
|
|
#define TEST_BACKEND TREXIO_TEXT
|
|
#define TREXIO_FILE "test_dset_sparse.dir"
|
|
#define RM_COMMAND "rm -rf " TREXIO_FILE
|
|
#define SIZE 100
|
|
#define N_CHUNKS 5
|
|
|
|
static int test_write_dset_sparse (const char* file_name, const back_end_t backend, const int64_t offset) {
|
|
|
|
/* Try to write an array of sparse data into the TREXIO file */
|
|
|
|
trexio_t* file = NULL;
|
|
trexio_exit_code rc;
|
|
|
|
/*================= START OF TEST ==================*/
|
|
|
|
// open file in 'write' mode
|
|
file = trexio_open(file_name, 'w', backend, &rc);
|
|
assert (file != NULL);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// parameters to be written
|
|
int32_t* index;
|
|
double* value;
|
|
|
|
index = calloc(4L*SIZE, sizeof(int32_t));
|
|
value = calloc(SIZE, sizeof(double));
|
|
|
|
for(int i=0; i<SIZE; i++){
|
|
index[4*i] = 4*i;
|
|
index[4*i+1] = 4*i+1;
|
|
index[4*i+2] = 4*i+2;
|
|
index[4*i+3] = 4*i+3;
|
|
value[i] = 3.14 + (double) i;
|
|
}
|
|
|
|
// write mo_num which will be used to determine the optimal size of int indices
|
|
if (trexio_has_mo_num(file) == TREXIO_HAS_NOT) {
|
|
rc = trexio_write_mo_num(file, 1000);
|
|
assert(rc == TREXIO_SUCCESS);
|
|
}
|
|
|
|
// write dataset chunks of sparse data in the file (including FAKE statements)
|
|
uint64_t chunk_size = (uint64_t) SIZE/N_CHUNKS;
|
|
uint64_t offset_f = 0UL;
|
|
uint64_t offset_d = 0UL;
|
|
if (offset != 0L) offset_f += offset;
|
|
|
|
// write n_chunks times using write_sparse
|
|
for(int i=0; i<N_CHUNKS; ++i){
|
|
rc = trexio_write_mo_2e_int_eri(file, offset_f, chunk_size, &index[4*offset_d], &value[offset_d]);
|
|
assert(rc == TREXIO_SUCCESS);
|
|
offset_d += chunk_size;
|
|
offset_f += chunk_size;
|
|
}
|
|
|
|
// close current session
|
|
rc = trexio_close(file);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// free the allocated memeory
|
|
free(index);
|
|
free(value);
|
|
|
|
/*================= END OF TEST ==================*/
|
|
|
|
return 0;
|
|
}
|
|
|
|
static int test_has_dset_sparse (const char* file_name, const back_end_t backend) {
|
|
|
|
/* Try to check the existence of a dataset of sparse data 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);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// first check that mo_2e_int_eri_lr (we only write non-lr component in this unit test)
|
|
rc = trexio_has_mo_2e_int_eri_lr(file);
|
|
assert(rc==TREXIO_HAS_NOT);
|
|
|
|
// check that previous call to has_sparse did not create a file/dset
|
|
rc = trexio_has_mo_2e_int_eri_lr(file);
|
|
assert(rc==TREXIO_HAS_NOT);
|
|
|
|
// now check that previously written mo_2e_int_eri exists
|
|
rc = trexio_has_mo_2e_int_eri(file);
|
|
assert(rc==TREXIO_SUCCESS);
|
|
|
|
// close current session
|
|
rc = trexio_close(file);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
/*================= END OF TEST ==================*/
|
|
|
|
return 0;
|
|
}
|
|
|
|
static int test_read_dset_sparse (const char* file_name, const back_end_t backend, const int64_t offset) {
|
|
|
|
/* Try to read one chunk of dataset of sparse data 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);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// define arrays to read into
|
|
int32_t* index_read;
|
|
double* value_read;
|
|
uint64_t size_r = 40L;
|
|
|
|
index_read = (int32_t*) calloc(4L*size_r,sizeof(int32_t));
|
|
value_read = (double*) calloc(size_r,sizeof(double));
|
|
|
|
// specify the read parameters, here:
|
|
// 1 chunk of 10 elements using offset of 40 (i.e. lines No. 40--59) into elements of the array starting from 5
|
|
int64_t chunk_read = 10L;
|
|
int64_t offset_file_read = 40L;
|
|
int offset_data_read = 5;
|
|
int64_t read_size_check;
|
|
read_size_check = chunk_read;
|
|
|
|
if (offset != 0L) offset_file_read += offset;
|
|
|
|
// read one chunk using the aforementioned parameters
|
|
rc = trexio_read_mo_2e_int_eri(file, offset_file_read, &chunk_read, &index_read[4*offset_data_read], &value_read[offset_data_read]);
|
|
assert(rc == TREXIO_SUCCESS);
|
|
assert(chunk_read == read_size_check);
|
|
assert(index_read[0] == 0);
|
|
assert(index_read[4*offset_data_read] == 4 * (int32_t) (offset_file_read-offset));
|
|
|
|
// now attempt to read so that one encounters end of file during reading (i.e. offset_file_read + chunk_read > size_max)
|
|
offset_file_read = 97L;
|
|
offset_data_read = 1;
|
|
int64_t eof_read_size_check = SIZE - offset_file_read; // if offset_file_read=97 => only 3 integrals will be read out of total of 100
|
|
|
|
if (offset != 0L) offset_file_read += offset;
|
|
|
|
// read one chunk that will reach EOF and return TREXIO_END code
|
|
rc = trexio_read_mo_2e_int_eri(file, offset_file_read, &chunk_read, &index_read[4*offset_data_read], &value_read[offset_data_read]);
|
|
assert(rc == TREXIO_END);
|
|
assert(chunk_read == eof_read_size_check);
|
|
assert(index_read[4*size_r-1] == 0);
|
|
assert(index_read[4*offset_data_read] == 4 * (int32_t) (offset_file_read-offset));
|
|
|
|
// close current session
|
|
rc = trexio_close(file);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// free the memory
|
|
free(index_read);
|
|
free(value_read);
|
|
|
|
/*================= END OF TEST ==================*/
|
|
|
|
return 0;
|
|
}
|
|
|
|
static int test_read_dset_sparse_size (const char* file_name, const back_end_t backend, const int64_t size_check) {
|
|
|
|
/* Try to read a size of the dataset of sparse data 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);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
// define the variable to read into
|
|
int64_t size_written;
|
|
|
|
// read one chunk using the aforementioned parameters
|
|
rc = trexio_read_mo_2e_int_eri_size(file, &size_written);
|
|
assert(rc == TREXIO_SUCCESS);
|
|
assert(size_written == size_check);
|
|
|
|
// close current session
|
|
rc = trexio_close(file);
|
|
assert (rc == TREXIO_SUCCESS);
|
|
|
|
/*================= END OF TEST ==================*/
|
|
|
|
return 0;
|
|
}
|
|
|
|
int main(){
|
|
|
|
/*============== Test launcher ================*/
|
|
|
|
int rc;
|
|
rc = system(RM_COMMAND);
|
|
assert (rc == 0);
|
|
|
|
// check the first write attempt (SIZE elements written in N_CHUNKS chunks)
|
|
test_write_dset_sparse (TREXIO_FILE, TEST_BACKEND, 0);
|
|
test_has_dset_sparse (TREXIO_FILE, TEST_BACKEND);
|
|
test_read_dset_sparse (TREXIO_FILE, TEST_BACKEND, 0);
|
|
test_read_dset_sparse_size(TREXIO_FILE, TEST_BACKEND, SIZE);
|
|
|
|
// check the second write attempt (SIZE elements written in N_CHUNKS chunks)
|
|
test_write_dset_sparse (TREXIO_FILE, TEST_BACKEND, SIZE);
|
|
test_read_dset_sparse (TREXIO_FILE, TEST_BACKEND, SIZE);
|
|
test_read_dset_sparse_size(TREXIO_FILE, TEST_BACKEND, SIZE*2);
|
|
|
|
rc = system(RM_COMMAND);
|
|
assert (rc == 0);
|
|
|
|
return 0;
|
|
}
|