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https://github.com/TREX-CoE/trexio.git
synced 2024-07-23 03:07:45 +02:00
109 lines
2.7 KiB
C
109 lines
2.7 KiB
C
#include <stdint.h>
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#include <stdlib.h>
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#include <stdio.h>
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#include "trexio.h"
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#include <assert.h>
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#define FILENAME "test_sparse.dir"
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int main(){
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uint64_t offset_f = 0;
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// create the data to write
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uint64_t size = 100;
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int32_t* index;
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double* value;
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index = calloc(4L*size, sizeof(int32_t));
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value = calloc(size, sizeof(double));
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for(int i=0; i<size; i++){
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index[4*i] = 4*i;
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index[4*i+1] = 4*i+1;
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index[4*i+2] = 4*i+2;
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index[4*i+3] = 4*i+3;
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value[i] = 3.14 + (double) i;
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}
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int rc_open;
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trexio_t* trexio_file = trexio_open(FILENAME, 'w', TREXIO_TEXT, &rc_open);
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assert(rc_open == TREXIO_SUCCESS);
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assert(trexio_file != NULL);
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// check if the file exists
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int rc;
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rc = trexio_has_mo_2e_int_eri(trexio_file);
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assert(rc==TREXIO_SUCCESS || rc==TREXIO_HAS_NOT);
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if(rc==TREXIO_HAS_NOT){
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printf("FILE DID NOT EXIST AT THE START.\n");
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} else {
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printf("FILE EXIST AT THE START.\n");
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}
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// check that previous call to has_sparse did not create a file
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if (rc==TREXIO_HAS_NOT) {
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rc = trexio_has_mo_2e_int_eri(trexio_file);
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assert(rc==TREXIO_HAS_NOT);
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}
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// define chunks: here they contain 20 elements, i.e. 100/5
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int n_chunks = 5;
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uint64_t chunk_size = size/n_chunks;
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// write 5 chunks using write_sparse
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for(int i=0; i<n_chunks; ++i){
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rc = trexio_write_mo_2e_int_eri(trexio_file, offset_f, offset_f, chunk_size, index, value);
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assert(rc==TREXIO_SUCCESS);
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offset_f += chunk_size;
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}
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rc = trexio_close(trexio_file);
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assert(rc == TREXIO_SUCCESS);
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// TODO: SHOULD NOT TREXIO_CLOSE SET TO NULL THE TREXIO_T POINTER ???
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//assert(trexio_file == NULL);
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trexio_t* trexio_file_2 = trexio_open(FILENAME, 'w', TREXIO_TEXT, &rc_open);
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assert(rc_open == TREXIO_SUCCESS);
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assert(trexio_file_2 != NULL);
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// define arrays to read into
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int32_t* index_read;
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double* value_read;
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index_read = (int32_t*) calloc(4L*chunk_size,sizeof(int32_t));
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value_read = (double*) calloc(chunk_size,sizeof(double));
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// read 1 chunk of 20 elements using offset of 40( i.e. lines No. 40--59)
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uint64_t offset_f_read = 40L;
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rc = trexio_read_mo_2e_int_eri(trexio_file_2, offset_f_read, 0L, chunk_size, index_read, value_read);
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assert(rc==TREXIO_SUCCESS);
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// print the data being read
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for(int i=0; i<chunk_size; ++i){
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printf("%d %d %d %d %lf\n",
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index_read[4*i],
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index_read[4*i+1],
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index_read[4*i+2],
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index_read[4*i+3],
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value_read[i]
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);
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}
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// check that the file has been created
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rc = trexio_has_mo_2e_int_eri(trexio_file_2);
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assert(rc==TREXIO_SUCCESS);
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rc = trexio_close(trexio_file_2);
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assert(rc == TREXIO_SUCCESS);
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// free the memory
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free(index);
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free(value);
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free(index_read);
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free(value_read);
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}
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