bauer/WHAM
1
0
Fork 0
mirror of https://github.com/dnlbauer/WHAM.git synced 2026-09-10 22:25:31 +00:00
Code Issues Packages Projects Releases Wiki Activity

remove unneccessary parameter in bootstrapping function

Browse Source
This commit is contained in:
Daniel Bauer
2020-09-15 15:32:05 +02:00
parent 465f46b280
commit 7b39d603bd
2 changed files with 2 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
src/error_analysis.rs
View File

@@ -32,7 +32,7 @@ fn generate_random_weighted_dataset(ds: Dataset, rng: &mut StdRng) -> Dataset {
// Perform bootstrap error analysis. This runs the WHAM analysis num_runs times on random weighted
// datasets. The standard deviation is calculated on the bootstrapped probabilities of each bin. The
// standard deviation of the free eneergy is then deduced by error propagation (A_std = kT*1/P*P_std)
pub fn run_bootstrap(cfg: &Config, ds: Dataset, P: &[f64], num_runs: usize) -> (Vec<f64>,Vec<f64>) {
pub fn run_bootstrap(cfg: &Config, ds: Dataset, num_runs: usize) -> (Vec<f64>,Vec<f64>) {
// seed the rng
let mut rng: StdRng = SeedableRng::seed_from_u64(cfg.bootstrap_seed);

2
src/lib.rs
View File

@@ -189,7 +189,7 @@ pub fn run(cfg: &Config) -> Result<()>{
let (P_std, free_energy_std) = if cfg.bootstrap > 0 {
println!("Bootstrapping..");
error_analysis::run_bootstrap(&cfg, dataset.clone(), &P, cfg.bootstrap)
error_analysis::run_bootstrap(&cfg, dataset.clone(), cfg.bootstrap)
} else {
(vec![0.0; P.len()], vec![0.0; P.len()])
};