diff --git a/src/lib.rs b/src/lib.rs index 3d36367..e800d40 100644 --- a/src/lib.rs +++ b/src/lib.rs @@ -63,14 +63,10 @@ fn calc_bin_probability(bin: usize, ds: &Dataset, F: &[f64]) -> f64 { // This evaluates the second WHAM equation for each window and returns exp(F/kT) fn calc_window_F(window: usize, ds: &Dataset, P: &[f64]) -> f64 { let f: f64 = (0..ds.num_bins).zip(P.iter()) // zip bins and P - .filter_map(|bin_and_prob: (usize, &f64)| { - if bin_and_prob.1 == &0.0 { // skip zeros for speed - None - } else { - let bias = ds.calc_bias(bin_and_prob.0, window); - Some(bin_and_prob.1 * bias) - } - }).sum(); + .map(|bin_and_prob: (usize, &f64)| { + let bias = ds.calc_bias(bin_and_prob.0, window); + bin_and_prob.1 * bias + }).sum(); 1.0/f }