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renames histogramset to dataset

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This commit is contained in:
Daniel Bauer
2018-10-06 12:34:53 +02:00
parent 206ff97e91
commit 9bbd5b5d7a
3 changed files with 95 additions and 96 deletions
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41
src/histogram.rs
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@@ -34,9 +34,8 @@ impl Histogram {
}
// a set of histograms
#[derive(Debug)]
pub struct HistogramSet {
pub struct Dataset {
// number of histogram windows (number of simulations)
pub num_windows: usize,
@@ -68,11 +67,11 @@ pub struct HistogramSet {
pub cyclic: bool,
}
impl HistogramSet {
impl Dataset {
pub fn new(num_bins: usize, bin_width: f32, hist_min: f32, hist_max: f32, bias_x0: Vec<f32>, bias_fc: Vec<f32>, kT: f32, histograms: Vec<Histogram>, cyclic: bool) -> HistogramSet {
pub fn new(num_bins: usize, bin_width: f32, hist_min: f32, hist_max: f32, bias_x0: Vec<f32>, bias_fc: Vec<f32>, kT: f32, histograms: Vec<Histogram>, cyclic: bool) -> Dataset {
let num_windows = histograms.len();
HistogramSet{num_windows, num_bins, bin_width, hist_min, hist_max, bias_x0, bias_fc, kT, histograms, cyclic}
Dataset{num_windows, num_bins, bin_width, hist_min, hist_max, bias_x0, bias_fc, kT, histograms, cyclic}
}
@@ -98,7 +97,7 @@ impl HistogramSet {
}
impl fmt::Display for HistogramSet {
impl fmt::Display for Dataset {
fn fmt(&self, f: &mut fmt::Formatter) -> fmt::Result {
let mut datapoints: u32 = 0;
for h in &self.histograms {
@@ -122,9 +121,9 @@ mod tests {
)
}
fn build_hist_set() -> HistogramSet {
fn build_hist_set() -> Dataset {
let h = build_hist();
HistogramSet::new(
Dataset::new(
7, // num bins
1.0, // bin width
0.0, // hist min
@@ -152,51 +151,51 @@ mod tests {
#[test]
fn calc_bias() {
let hs = build_hist_set();
let ds = build_hist_set();
// 7th element -> x=7.5, x0=7.5
assert_eq!(0.0, hs.calc_bias(7, 0));
assert_eq!(0.0, ds.calc_bias(7, 0));
// 8th element -> x=8.5, x0=7.5
assert_eq!(5.0, hs.calc_bias(8, 0));
assert_eq!(5.0, ds.calc_bias(8, 0));
// 9th element -> x=9.5, x0=7.5
assert_eq!(20.0, hs.calc_bias(9, 0));
assert_eq!(20.0, ds.calc_bias(9, 0));
// 1st element -> x=0.5, x0=7.5. non-cyclic!
assert_eq!(245.0, hs.calc_bias(0, 0));
assert_eq!(245.0, ds.calc_bias(0, 0));
}
#[test]
fn calc_bias_offset_cyclic() {
let mut hs = build_hist_set();
hs.cyclic = true;
let mut ds = build_hist_set();
ds.cyclic = true;
// 7th element -> x=7.5, x0=7.5
assert_eq!(0.0, hs.calc_bias(7, 0));
assert_eq!(0.0, ds.calc_bias(7, 0));
// 8th element -> x=8.5, x0=7.5
assert_eq!(5.0, hs.calc_bias(8, 0));
assert_eq!(5.0, ds.calc_bias(8, 0));
// 9th element -> x=9.5, x0=7.5
assert_eq!(20.0, hs.calc_bias(9, 0));
assert_eq!(20.0, ds.calc_bias(9, 0));
// 1st element -> x=0.5, x0=7.5
// cyclic flag makes bin 0 neighboring bin 9, so the distance is actually 2
assert_eq!(20.0, hs.calc_bias(0, 0));
assert_eq!(20.0, ds.calc_bias(0, 0));
}
#[test]
fn get_x_for_bin() {
let hs = build_hist_set();
let ds = build_hist_set();
let expected: Vec<f32> = vec![0,1,2,3,4,5,6,7,8].iter()
.map(|x| *x as f32 + 0.5).collect();
for i in 0..9 {
assert_eq!(expected[i], hs.get_x_for_bin(i));
assert_eq!(expected[i], ds.get_x_for_bin(i));
}
}
}