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frame semantics for seek/tell and benchs

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daniel
2020-11-13 12:41:17 +01:00
parent 3c36d3040e
commit bbc0250af4
2 changed files with 5 additions and 8 deletions
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1
benches/benchmarks.rs
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@@ -11,7 +11,6 @@ fn gen_test_traj(num_atoms: usize, num_frames: usize) -> Result<NamedTempFile> {
let mut f = XTCTrajectory::open_write(&tmp_path)?;
let mut frame = Frame {
num_atoms: num_atoms as u32,
step: 1,
time: 1.0,
box_vector: [[1.0, 2.0, 3.0], [2.0, 1.0, 3.0], [3.0, 2.0, 1.0]],

12
src/lib.rs
View File

@@ -634,9 +634,8 @@ mod tests {
let tempfile = NamedTempFile::new()?;
let tmp_path = tempfile.path();
let natoms: u32 = 2;
let natoms: usize = 2;
let frame = Frame {
num_atoms: natoms,
step: 5,
time: 2.0,
box_vector: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]],
@@ -648,7 +647,7 @@ mod tests {
assert_eq!(f.tell(), 144);
f.flush()?;
let mut new_frame = Frame::with_capacity(natoms);
let mut new_frame = Frame::with_len(natoms);
let mut f = TRRTrajectory::open_read(tmp_path)?;
assert_eq!(f.tell(), 0);
@@ -663,9 +662,8 @@ mod tests {
let tempfile = NamedTempFile::new()?;
let tmp_path = tempfile.path();
let natoms: u32 = 2;
let natoms: usize = 2;
let mut frame = Frame {
num_atoms: natoms,
step: 0,
time: 0.0,
box_vector: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]],
@@ -680,7 +678,7 @@ mod tests {
let after_second_frame = f.tell();
f.flush()?;
let mut new_frame = Frame::with_capacity(natoms);
let mut new_frame = Frame::with_len(natoms);
let mut f = TRRTrajectory::open_read(tmp_path)?;
let pos = f.seek(std::io::SeekFrom::Current(144))?;
assert_eq!(pos, after_first_frame);
@@ -688,7 +686,7 @@ mod tests {
f.read(&mut new_frame)?;
assert_eq!(f.tell(), after_second_frame);
assert_eq!(new_frame.num_atoms, frame.num_atoms);
assert_eq!(new_frame.len(), frame.len());
assert_eq!(new_frame.step, frame.step);
assert_eq!(new_frame.time, frame.time);
assert_eq!(new_frame.box_vector, frame.box_vector);