mirror of
https://github.com/dnlbauer/xdrfile.git
synced 2026-09-11 22:55:31 +00:00
Format with rustfmt
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@@ -1,6 +1,5 @@
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use super::xdrfile::*;
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extern "C" {
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pub fn read_trr_natoms(
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fn_: *const ::std::os::raw::c_char,
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@@ -10,7 +9,7 @@ extern "C" {
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extern "C" {
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pub fn read_trr_nframes(
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fn_: *const ::std::os::raw::c_char,
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nframes: *const ::std::os::raw::c_ulong,
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nframes: *const ::std::os::raw::c_ulong,
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) -> ::std::os::raw::c_int;
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}
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extern "C" {
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@@ -61,7 +60,7 @@ mod tests {
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#[test]
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fn test_read_trr_nframes() {
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let path = CString::new("tests/1l2y.trr").unwrap();
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let mut nframes: u64 = 0;
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let mut nframes: u64 = 0;
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unsafe {
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let code = read_trr_nframes(path.as_ptr() as *const i8, &mut nframes);
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@@ -83,19 +82,25 @@ mod tests {
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let box_vec: Matrix = [[1.0, 2.0, 3.0], [2.0, 1.0, 3.0], [3.0, 2.0, 1.0]];
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let x: Vec<Rvec> = vec![[1.0, 1.0, 1.0], [1.0, 1.0, 1.0]];
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let v: Vec<Rvec> = vec![[1.0, 1.0, 1.0], [1.0, 1.0, 1.0]];
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let v: Vec<Rvec> = vec![[1.0, 1.0, 1.0], [1.0, 1.0, 1.0]];
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let f: Vec<Rvec> = vec![[1.0, 1.0, 1.0], [1.0, 1.0, 1.0]];
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unsafe {
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let mode = CString::new("w").unwrap();
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let xdr = xdrfile_open(tmp_path.as_ptr(), mode.as_ptr());
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let write_code = write_trr(xdr, natoms, step, time, lambda,
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let write_code = write_trr(
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xdr,
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natoms,
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step,
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time,
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lambda,
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box_vec.as_ptr() as *mut Matrix,
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x.as_ptr() as *mut Rvec,
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v.as_ptr() as *mut Rvec,
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f.as_ptr() as *mut Rvec);
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f.as_ptr() as *mut Rvec,
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);
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assert!(write_code as u32 == exdrOK);
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xdrfile_close(xdr);
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xdrfile_close(xdr);
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}
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// read atoms from tempfile
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@@ -111,13 +116,19 @@ mod tests {
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unsafe {
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let mode = CString::new("r").unwrap();
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let xdr = xdrfile_open(tmp_path.as_ptr(), mode.as_ptr());
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let read_code = read_trr(xdr, natoms, &mut step2, &mut time2,
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&mut lambda2, box_vec2.as_ptr() as *mut Matrix,
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let read_code = read_trr(
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xdr,
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natoms,
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&mut step2,
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&mut time2,
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&mut lambda2,
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box_vec2.as_ptr() as *mut Matrix,
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x2.as_ptr() as *mut Rvec,
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v2.as_ptr() as *mut Rvec,
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f2.as_ptr() as *mut Rvec);
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f2.as_ptr() as *mut Rvec,
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);
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assert!(read_code as u32 == exdrOK);
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xdrfile_close(xdr);
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xdrfile_close(xdr);
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}
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// make sure everything is still the same
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@@ -129,5 +140,4 @@ mod tests {
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assert!(v2 == v);
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assert!(f2 == f);
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}
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}
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}
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