mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-10-02 14:31:05 +02:00
109 lines
2.7 KiB
C
109 lines
2.7 KiB
C
|
#include <stdint.h>
|
||
|
#include <stdlib.h>
|
||
|
#include <stdio.h>
|
||
|
#include "trexio.h"
|
||
|
#include <assert.h>
|
||
|
|
||
|
#define FILENAME "test_sparse.dir"
|
||
|
|
||
|
|
||
|
int main(){
|
||
|
|
||
|
uint64_t offset_f = 0;
|
||
|
|
||
|
// create the data to write
|
||
|
uint64_t size = 100;
|
||
|
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;
|
||
|
}
|
||
|
|
||
|
int rc_open;
|
||
|
trexio_t* trexio_file = trexio_open(FILENAME, 'w', TREXIO_TEXT, &rc_open);
|
||
|
assert(rc_open == TREXIO_SUCCESS);
|
||
|
assert(trexio_file != NULL);
|
||
|
|
||
|
// check if the file exists
|
||
|
int rc;
|
||
|
rc = trexio_has_mo_2e_int_eri(trexio_file);
|
||
|
assert(rc==TREXIO_SUCCESS || rc==TREXIO_HAS_NOT);
|
||
|
|
||
|
if(rc==TREXIO_HAS_NOT){
|
||
|
printf("FILE DID NOT EXIST AT THE START.\n");
|
||
|
} else {
|
||
|
printf("FILE EXIST AT THE START.\n");
|
||
|
}
|
||
|
|
||
|
// check that previous call to has_sparse did not create a file
|
||
|
if (rc==TREXIO_HAS_NOT) {
|
||
|
rc = trexio_has_mo_2e_int_eri(trexio_file);
|
||
|
assert(rc==TREXIO_HAS_NOT);
|
||
|
}
|
||
|
|
||
|
// define chunks: here they contain 20 elements, i.e. 100/5
|
||
|
int n_chunks = 5;
|
||
|
uint64_t chunk_size = size/n_chunks;
|
||
|
|
||
|
// write 5 chunks using write_sparse
|
||
|
for(int i=0; i<n_chunks; ++i){
|
||
|
rc = trexio_write_mo_2e_int_eri(trexio_file, offset_f, offset_f, chunk_size, index, value);
|
||
|
assert(rc==TREXIO_SUCCESS);
|
||
|
offset_f += chunk_size;
|
||
|
}
|
||
|
|
||
|
rc = trexio_close(trexio_file);
|
||
|
assert(rc == TREXIO_SUCCESS);
|
||
|
// TODO: SHOULD NOT TREXIO_CLOSE SET TO NULL THE TREXIO_T POINTER ???
|
||
|
//assert(trexio_file == NULL);
|
||
|
|
||
|
trexio_t* trexio_file_2 = trexio_open(FILENAME, 'w', TREXIO_TEXT, &rc_open);
|
||
|
assert(rc_open == TREXIO_SUCCESS);
|
||
|
assert(trexio_file_2 != NULL);
|
||
|
|
||
|
// define arrays to read into
|
||
|
int32_t* index_read;
|
||
|
double* value_read;
|
||
|
|
||
|
index_read = (int32_t*) calloc(4L*chunk_size,sizeof(int32_t));
|
||
|
value_read = (double*) calloc(chunk_size,sizeof(double));
|
||
|
|
||
|
// read 1 chunk of 20 elements using offset of 40( i.e. lines No. 40--59)
|
||
|
uint64_t offset_f_read = 40L;
|
||
|
rc = trexio_read_mo_2e_int_eri(trexio_file_2, offset_f_read, 0L, chunk_size, index_read, value_read);
|
||
|
assert(rc==TREXIO_SUCCESS);
|
||
|
|
||
|
// print the data being read
|
||
|
for(int i=0; i<chunk_size; ++i){
|
||
|
printf("%d %d %d %d %lf\n",
|
||
|
index_read[4*i],
|
||
|
index_read[4*i+1],
|
||
|
index_read[4*i+2],
|
||
|
index_read[4*i+3],
|
||
|
value_read[i]
|
||
|
);
|
||
|
}
|
||
|
|
||
|
// check that the file has been created
|
||
|
rc = trexio_has_mo_2e_int_eri(trexio_file_2);
|
||
|
assert(rc==TREXIO_SUCCESS);
|
||
|
|
||
|
rc = trexio_close(trexio_file_2);
|
||
|
assert(rc == TREXIO_SUCCESS);
|
||
|
|
||
|
// free the memory
|
||
|
free(index);
|
||
|
free(value);
|
||
|
free(index_read);
|
||
|
free(value_read);
|
||
|
|
||
|
}
|