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unit tests

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daniel
2020-11-08 09:56:27 +01:00
parent 0351857606
commit c998ded6bb
4 changed files with 17 additions and 28 deletions
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README.md
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@@ -11,11 +11,9 @@ files with a safe api.
### Basic usage
```rust
use xdrfile::*;
use std::path::Path;
let mut path = Path::new("tests/1l2y.xtc");
// get a handle to the file
let mut trj = XTCTrajectory::open(path, FileMode::Read).unwrap();
let mut trj = XTCTrajectory::open_read("tests/1l2y.xtc").unwrap();
// find number of atoms in the file
let num_atoms = trj.get_num_atoms().unwrap();
@@ -48,11 +46,9 @@ Rc is required)
```rust
use xdrfile::*;
use std::path::Path;
let mut path = Path::new("tests/1l2y.xtc");
// get a handle to the file
let trj = XTCTrajectory::open(path, FileMode::Read).unwrap();
let trj = XTCTrajectory::open_read("tests/1l2y.xtc").unwrap();
// iterate over all frames
for (idx, frame) in trj.into_iter().filter_map(Result::ok).enumerate() {