mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-08-25 06:31:43 +02:00
Need to check sparse read
This commit is contained in:
parent
3a4726cd78
commit
9d2866c84b
@ -106,8 +106,8 @@ impl File {
|
||||
panic!("Inconsistent values of n_int")
|
||||
}
|
||||
};
|
||||
let offset_file: i64 = offset_file.try_into().expect("try_into failed in read_determinant_list");
|
||||
let buffer_size: i64 = determinants.len().try_into().expect("try_into failed in read_determinant_list");
|
||||
let offset_file: i64 = offset_file.try_into().expect("try_into failed in write_determinant_list");
|
||||
let buffer_size: i64 = determinants.len().try_into().expect("try_into failed in write_determinant_list");
|
||||
let mut one_d_array: Vec<i64> = Vec::with_capacity(determinants.len() * n_int);
|
||||
for det in determinants.iter() {
|
||||
for i in det.as_vec().iter() {
|
||||
@ -121,6 +121,26 @@ impl File {
|
||||
rc_return((), rc)
|
||||
}
|
||||
|
||||
pub fn read_determinant_list(&self, offset_file: usize, buffer_size: usize) -> Result<Vec<Bitfield>, ExitCode> {
|
||||
let n_int = self.get_int64_num()?;
|
||||
let mut one_d_array: Vec<i64> = Vec::with_capacity(buffer_size * n_int);
|
||||
let one_d_array_ptr = one_d_array.as_ptr() as *mut i64;
|
||||
let rc = unsafe {
|
||||
let offset_file: i64 = offset_file.try_into().expect("try_into failed in read_determinant_list (offset_file)");
|
||||
let mut buffer_size_read: i64 = buffer_size.try_into().expect("try_into failed in read_determinant_list (buffer_size)");
|
||||
let rc = c::trexio_read_determinant_list(self.ptr, offset_file, &mut buffer_size_read, one_d_array_ptr);
|
||||
one_d_array.set_len(buffer_size_read.try_into()
|
||||
.expect("try_into failed in read_determinant_list (buffer_size_read)"));
|
||||
rc
|
||||
};
|
||||
let result: Vec::<Bitfield> = one_d_array.chunks(n_int)
|
||||
.collect::<Vec<_>>()
|
||||
.iter()
|
||||
.map(|x| (Bitfield::from_vec(&x)))
|
||||
.collect::<Vec<_>>();
|
||||
rc_return(result, rc)
|
||||
}
|
||||
|
||||
}
|
||||
|
||||
include!("generated.rs");
|
||||
|
@ -195,12 +195,13 @@ fn read(file_name: &str, back_end: BackEnd) -> Result<(), trexio::ExitCode> {
|
||||
let nmax = 100;
|
||||
let mut ao_2e_int_eri_ref = Vec::<(usize,usize,usize,usize,f64)>::with_capacity(nmax);
|
||||
|
||||
let n_buffers = 4;
|
||||
let bufsize = nmax/n_buffers;
|
||||
let n_buffers = 8;
|
||||
let bufsize = nmax/n_buffers+10;
|
||||
|
||||
/* TODO: check from here */
|
||||
for i in 0..100 {
|
||||
// Quadruplet of indices + value
|
||||
let data = (4*i, 4*i+1, 4*i+2, 4*i+3, 3.14 + (i as f64));
|
||||
let data = (4*i, 4*i+1, 4*i+2, 4*i+3, 3.13 + (i as f64));
|
||||
ao_2e_int_eri_ref.push(data);
|
||||
}
|
||||
|
||||
@ -214,26 +215,29 @@ fn read(file_name: &str, back_end: BackEnd) -> Result<(), trexio::ExitCode> {
|
||||
assert_eq!(ao_2e_int_eri_ref, ao_2e_int_eri);
|
||||
|
||||
|
||||
/*
|
||||
// Determinants
|
||||
let det_num = 50;
|
||||
let mut det_list = Vec::with_capacity(det_num);
|
||||
let det_num = trex_file.read_determinant_num()?;
|
||||
assert_eq!(det_num, 50);
|
||||
|
||||
let mut det_list_ref = Vec::with_capacity(det_num);
|
||||
for i in 0..det_num {
|
||||
let mut d = [0i64 ; 6 ];
|
||||
for j in 0..6 {
|
||||
d[j] = 6*(i as i64)+(j as i64);
|
||||
}
|
||||
det_list.push( Bitfield::from_vec(&d) );
|
||||
det_list_ref.push( Bitfield::from_vec(&d) );
|
||||
}
|
||||
|
||||
let n_buffers = 5;
|
||||
let bufsize = 50/n_buffers;
|
||||
let n_buffers = 8;
|
||||
let bufsize = det_num/n_buffers + 10;
|
||||
let mut offset = 0;
|
||||
for i in 0..n_buffers {
|
||||
trex_file.write_determinant_list(offset, &det_list[offset..offset+bufsize])?;
|
||||
let mut det_list: Vec<Bitfield> = Vec::with_capacity(det_num);
|
||||
for _ in 0..n_buffers {
|
||||
let buffer = trex_file.read_determinant_list(offset, bufsize)?;
|
||||
det_list.extend(buffer);
|
||||
offset += bufsize;
|
||||
}
|
||||
*/
|
||||
assert_eq!(det_list_ref, det_list);
|
||||
|
||||
trex_file.close()
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user