From fbdb451f6ba3ae96009180a1c0a45eeaf0bfd9e3 Mon Sep 17 00:00:00 2001 From: Daniel Bauer Date: Wed, 11 Mar 2020 09:40:01 +0100 Subject: [PATCH] print less --- src/lib.rs | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/src/lib.rs b/src/lib.rs index aaaf638..36179d8 100644 --- a/src/lib.rs +++ b/src/lib.rs @@ -157,7 +157,9 @@ pub fn perform_wham(cfg: &Config, dataset: &Dataset) for f in F_prev.iter_mut() { *f = -dataset.kT * f.ln() } converged = is_converged(&F_prev, &F, cfg.tolerance); - println!("Iteration {}: dF={}", &iteration, &diff_avg(&F_prev, &F)); + if cfg.verbose { + println!("Iteration {}: dF={}", &iteration, &diff_avg(&F_prev, &F)); + } F.copy_from_slice(&F_tmp); } } @@ -183,8 +185,10 @@ pub fn run(cfg: &Config) -> Result<()>{ println!("{}", &dataset); let (P, F, F_prev) = perform_wham(&cfg, &dataset)?; + println!("WHAM converged."); let (P_std, free_energy_std) = if cfg.bootstrap > 0 { + println!("Bootstrapping.."); error_analysis::run_bootstrap(&cfg, dataset.clone(), &P, cfg.bootstrap) } else { (vec![0.0; P.len()], vec![0.0; P.len()])