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https://github.com/dnlbauer/WHAM.git
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remove TODO/comments
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@@ -157,6 +157,7 @@ fn read_window_file(window_file: &str, cfg: &Config) -> Result<Histogram> {
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Ok(Histogram::new(num_points as u32, hist))
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Ok(Histogram::new(num_points as u32, hist))
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}
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}
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// Write WHAM calculation results to out_file.
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pub fn write_results(out_file: &str, ds: &Dataset, free: &Vec<f64>, prob: &Vec<f64>) -> Result<()> {
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pub fn write_results(out_file: &str, ds: &Dataset, free: &Vec<f64>, prob: &Vec<f64>) -> Result<()> {
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let output = File::create(out_file)
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let output = File::create(out_file)
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.chain_err(|| format!("Failed to create file with path {}", out_file))?;
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.chain_err(|| format!("Failed to create file with path {}", out_file))?;
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@@ -145,7 +145,6 @@ pub fn run(cfg: &Config) -> Result<()>{
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println!("Supplied WHAM options: {}", &cfg);
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println!("Supplied WHAM options: {}", &cfg);
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println!("Reading input files.");
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println!("Reading input files.");
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// TODO Better error handling with nice error messages instead of a panic!
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let dataset = io::read_data(&cfg).chain_err(|| "Failed to create histogram.")?;
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let dataset = io::read_data(&cfg).chain_err(|| "Failed to create histogram.")?;
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println!("{}", &dataset);
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println!("{}", &dataset);
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