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clean code (2)

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Daniel Bauer
2020-03-11 09:31:48 +01:00
parent b9f6b24b20
commit d4119b2fae
2 changed files with 11 additions and 14 deletions
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2
src/histogram.rs
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@@ -107,7 +107,7 @@ impl Dataset {
let mut tmp = bin; let mut tmp = bin;
let mut idx = vec![0; lengths.len()]; let mut idx = vec![0; lengths.len()];
for dimen in (1..lengths.len()).rev() { for dimen in (1..lengths.len()).rev() {
let denom = lengths.iter().take(dimen).fold(1, |s,&x| s*x); let denom: usize = lengths.iter().take(dimen).product();
idx[dimen] = tmp / denom; idx[dimen] = tmp / denom;
tmp %= denom; tmp %= denom;
} }

23
src/io.rs
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@@ -67,13 +67,13 @@ pub fn read_data(cfg: &Config) -> Result<Dataset> {
histograms.last().unwrap().num_points), cfg.verbose); histograms.last().unwrap().num_points), cfg.verbose);
// parse bias force constants and positions // parse bias force constants and positions
for i in 1..cfg.dimens+1 { for val in split.iter().skip(1).take(cfg.dimens) {
let pos = split[i].parse() let pos = val.parse()
.chain_err(|| format!("Failed to read bias position in line {} of metadata file", line_num+1))?; .chain_err(|| format!("Failed to read bias position in line {} of metadata file", line_num+1))?;
bias_pos.push(pos); bias_pos.push(pos);
} }
for i in (1+cfg.dimens)..(1+2*cfg.dimens) { for val in split.iter().skip(1+cfg.dimens).take(cfg.dimens) {
let fc = split[i].parse() let fc = val.parse()
.chain_err(|| format!("Failed to read bias fc in line {} of metadata file", line_num+1))?; .chain_err(|| format!("Failed to read bias fc in line {} of metadata file", line_num+1))?;
bias_fc.push(fc); bias_fc.push(fc);
} }
@@ -91,13 +91,10 @@ pub fn read_data(cfg: &Config) -> Result<Dataset> {
// lengths: length of the matrix in each dimension // lengths: length of the matrix in each dimension
// returns an index if the matrix is flattened to a one dimensional vector // returns an index if the matrix is flattened to a one dimensional vector
// example for 3 dimensions N,M,O: idx = i_O + l_O*l_M*i_M + l_O*l_M*l_N*i_N // example for 3 dimensions N,M,O: idx = i_O + l_O*l_M*i_M + l_O*l_M*l_N*i_N
fn flat_index(indeces: &Vec<usize>, lengths: &Vec<usize>) -> usize { fn flat_index(indeces: &[usize], lengths: &[usize]) -> usize {
let mut idx = 0; indeces.iter().enumerate().map(|(i, idx)| {
for i in 0..indeces.len() { idx * lengths.iter().take(i).product::<usize>()
idx += indeces[i]*lengths[0..i].iter() }).sum()
.fold(1, |state, &l| { state * l });
}
idx
} }
// returns true if the values are inside the histogram boundaries defined by cfg // returns true if the values are inside the histogram boundaries defined by cfg
@@ -125,7 +122,7 @@ fn read_window_file(window_file: &str, cfg: &Config) -> Result<Histogram> {
let mut buf = BufReader::new(&f); let mut buf = BufReader::new(&f);
// total number of bins is the product of all dimensions length // total number of bins is the product of all dimensions length
let total_bins = cfg.num_bins.iter().fold(1, |s, &x| { s*x }); let total_bins = cfg.num_bins.iter().product();
let mut hist = vec![0.0; total_bins]; let mut hist = vec![0.0; total_bins];
// bin width for each dimension: (max-min)/bins // bin width for each dimension: (max-min)/bins
@@ -158,7 +155,7 @@ fn read_window_file(window_file: &str, cfg: &Config) -> Result<Histogram> {
} }
if is_in_hist_boundaries(&values[1..], cfg) && is_in_time_boundaries(values[0], cfg) { if is_in_hist_boundaries(&values[1..], cfg) && is_in_time_boundaries(values[0], cfg) {
let bin_indeces = (0..cfg.dimens).map(|dimen: usize| { let bin_indeces: Vec<usize> = (0..cfg.dimens).map(|dimen: usize| {
let val = values[dimen+1]; let val = values[dimen+1];
((val - cfg.hist_min[dimen]) / bin_width[dimen]) as usize ((val - cfg.hist_min[dimen]) / bin_width[dimen]) as usize
}).collect(); }).collect();