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https://github.com/dnlbauer/WHAM.git
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fix io tests
This commit is contained in:
30
src/io.rs
30
src/io.rs
@@ -196,10 +196,10 @@ mod tests {
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fn cfg() -> Config {
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Config {
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metadata_file: "tests/data/metadata.dat".to_string(),
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hist_min: vec![0.0],
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hist_max: vec![3.0],
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num_bins: vec![30],
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metadata_file: "example/1d/metadata.dat".to_string(),
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hist_min: vec![-3.14],
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hist_max: vec![3.14],
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num_bins: vec![10],
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dimens: 1,
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verbose: false,
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tolerance: 0.0,
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@@ -211,33 +211,33 @@ mod tests {
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}
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#[test]
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#[ignore] // TODO
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fn read_window_file() {
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let f = "tests/data/window_0.0.dat";
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let f = "example/1d/COLVAR+0.0.xvg";
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let cfg = cfg();
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let h = super::read_window_file(&f, &cfg).unwrap();
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println!("{:?}", h);
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// assert_eq!(1, h.first);
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// assert_eq!(6, h.last);
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assert_eq!(11, h.num_points);
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assert_eq!(2.0, h.bins[1]);
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assert_eq!(2.0, h.bins[2]);
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assert_eq!(1.0, h.bins[6]);
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assert_eq!(5000, h.num_points);
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assert_eq!(0.0, h.bins[2]);
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assert_eq!(11.0, h.bins[3]);
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assert_eq!(2236.0, h.bins[4]);
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assert_eq!(2714.0, h.bins[5]);
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assert_eq!(39.0, h.bins[6]);
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assert_eq!(0.0, h.bins[7]);
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}
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#[test]
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#[ignore] // TODO
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fn read_data() {
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let cfg = cfg();
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let ds = super::read_data(&cfg);
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assert!(ds.is_some());
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let ds = ds.unwrap();
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println!("{:?}", ds);
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assert_eq!(2, ds.num_windows);
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assert_eq!(25, ds.num_windows);
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assert_eq!(cfg.num_bins.len(), ds.dimens_lengths.len());
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assert_eq!(cfg.num_bins[0], ds.dimens_lengths[0]);
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assert_eq!(cfg.temperature * k_B, ds.kT);
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assert_eq!(2, ds.histograms.len())
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assert_eq!(25, ds.histograms.len())
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}
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#[test]
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