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Introducing read test

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This commit is contained in:
Anthony Scemama 2023-10-17 18:56:36 +02:00
parent 000c83f275
commit 3a4726cd78
2 changed files with 14 additions and 7 deletions
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10
rust/trexio/build.py
View File

@ -324,14 +324,18 @@ pub fn write_{group_l}_{element_l}(&self, data: &[&str]) -> Result<(), ExitCode>
typ = "(" + ",".join( [ "usize" for _ in range(size) ]) + ", f64)" typ = "(" + ",".join( [ "usize" for _ in range(size) ]) + ", f64)"
r += [ (""" r += [ ("""
pub fn read_{group_l}_{element_l}(&self, offset: usize, buffer_size:usize) -> Result<Vec<{typ}>, ExitCode> { pub fn read_{group_l}_{element_l}(&self, offset: usize, buffer_size:usize) -> Result<Vec<{typ}>, ExitCode> {
let idx = Vec::<i32>::with_capacity({size}*buffer_size); let mut idx = Vec::<i32>::with_capacity({size}*buffer_size);
let val = Vec::<f64>::with_capacity(buffer_size); let mut val = Vec::<f64>::with_capacity(buffer_size);
let idx_ptr = idx.as_ptr() as *mut i32; let idx_ptr = idx.as_ptr() as *mut i32;
let val_ptr = val.as_ptr() as *mut f64; let val_ptr = val.as_ptr() as *mut f64;
let offset: i64 = offset.try_into().expect("try_into failed in read_{group}_{element} (offset)"); let offset: i64 = offset.try_into().expect("try_into failed in read_{group}_{element} (offset)");
let mut buffer_size_read: i64 = buffer_size.try_into().expect("try_into failed in read_{group}_{element} (buffer_size)"); let mut buffer_size_read: i64 = buffer_size.try_into().expect("try_into failed in read_{group}_{element} (buffer_size)");
let rc = unsafe { c::trexio_read_safe_{group}_{element}(self.ptr, let rc = unsafe { c::trexio_read_safe_{group}_{element}(self.ptr,
offset, &mut buffer_size_read, idx_ptr, buffer_size_read, val_ptr, buffer_size_read) }; offset, &mut buffer_size_read, idx_ptr, buffer_size_read, val_ptr, buffer_size_read)
};
let buffer_size_read: usize = buffer_size_read.try_into().expect("try_into failed in read_{group}_{element} (buffer_size)");
unsafe { idx.set_len({size}*buffer_size_read) };
unsafe { val.set_len(buffer_size_read) };
let idx: Vec::<&[i32]> = idx.chunks({size}).collect(); let idx: Vec::<&[i32]> = idx.chunks({size}).collect();
let mut result = Vec::<{typ}>::with_capacity(buffer_size); let mut result = Vec::<{typ}>::with_capacity(buffer_size);

11
rust/trexio/tests/read_write.rs
View File

@ -191,12 +191,11 @@ fn read(file_name: &str, back_end: BackEnd) -> Result<(), trexio::ExitCode> {
let spin = trex_file.read_mo_spin()?; let spin = trex_file.read_mo_spin()?;
assert_eq!(spin, spin_ref); assert_eq!(spin, spin_ref);
/*
// Integrals // Integrals
let nmax = 100; let nmax = 100;
let mut ao_2e_int_eri_ref = Vec::<(usize,usize,usize,usize,f64)>::with_capacity(nmax); let mut ao_2e_int_eri_ref = Vec::<(usize,usize,usize,usize,f64)>::with_capacity(nmax);
let n_buffers = 5; let n_buffers = 4;
let bufsize = nmax/n_buffers; let bufsize = nmax/n_buffers;
for i in 0..100 { for i in 0..100 {
@ -206,12 +205,16 @@ fn read(file_name: &str, back_end: BackEnd) -> Result<(), trexio::ExitCode> {
} }
let mut offset = 0; let mut offset = 0;
for i in 0..n_buffers { let mut ao_2e_int_eri = Vec::<(usize,usize,usize,usize,f64)>::with_capacity(nmax);
trex_file.read_ao_2e_int_eri(offset, &ao_2e_int_eri[offset..offset+bufsize])?; for _ in 0..n_buffers {
let buffer = trex_file.read_ao_2e_int_eri(offset, bufsize)?;
offset += bufsize; offset += bufsize;
ao_2e_int_eri.extend(buffer);
} }
assert_eq!(ao_2e_int_eri_ref, ao_2e_int_eri);
/*
// Determinants // Determinants
let det_num = 50; let det_num = 50;
let mut det_list = Vec::with_capacity(det_num); let mut det_list = Vec::with_capacity(det_num);