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theGreatHerrLebert committed Jan 8, 2025
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<!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="generator" content="rustdoc"><meta name="description" content="API documentation for the Rust `algorithm` mod in crate `mscore`."><title>mscore::algorithm - Rust</title><script>if(window.location.protocol!=="file:")document.head.insertAdjacentHTML("beforeend","SourceSerif4-Regular-46f98efaafac5295.ttf.woff2,FiraSans-Regular-018c141bf0843ffd.woff2,FiraSans-Medium-8f9a781e4970d388.woff2,SourceCodePro-Regular-562dcc5011b6de7d.ttf.woff2,SourceCodePro-Semibold-d899c5a5c4aeb14a.ttf.woff2".split(",").map(f=>`<link rel="preload" as="font" type="font/woff2" crossorigin href="../../static.files/${f}">`).join(""))</script><link rel="stylesheet" href="../../static.files/normalize-76eba96aa4d2e634.css"><link rel="stylesheet" href="../../static.files/rustdoc-b0742ba02757f159.css"><meta name="rustdoc-vars" data-root-path="../../" data-static-root-path="../../static.files/" data-current-crate="mscore" data-themes="" data-resource-suffix="" data-rustdoc-version="1.83.0 (90b35a623 2024-11-26)" data-channel="1.83.0" data-search-js="search-f0d225181b97f9a4.js" data-settings-js="settings-805db61a62df4bd2.js" ><script src="../../static.files/storage-1d39b6787ed640ff.js"></script><script defer src="../sidebar-items.js"></script><script defer src="../../static.files/main-f070b9041d14864c.js"></script><noscript><link rel="stylesheet" href="../../static.files/noscript-0111fcff984fae8f.css"></noscript><link rel="alternate icon" type="image/png" href="../../static.files/favicon-32x32-422f7d1d52889060.png"><link rel="icon" type="image/svg+xml" href="../../static.files/favicon-2c020d218678b618.svg"></head><body class="rustdoc mod"><!--[if lte IE 11]><div class="warning">This old browser is unsupported and will most likely display funky things.</div><![endif]--><nav class="mobile-topbar"><button class="sidebar-menu-toggle" title="show sidebar"></button></nav><nav class="sidebar"><div class="sidebar-crate"><h2><a href="../../mscore/index.html">mscore</a><span class="version">0.2.0</span></h2></div><div class="sidebar-elems"><section id="rustdoc-toc"><h2 class="location"><a href="#">Module algorithm</a></h2><h3><a href="#modules">Module Items</a></h3><ul class="block"><li><a href="#modules" title="Modules">Modules</a></li></ul></section><div id="rustdoc-modnav"><h2 class="in-crate"><a href="../index.html">In crate mscore</a></h2></div></div></nav><div class="sidebar-resizer"></div><main><div class="width-limiter"><rustdoc-search></rustdoc-search><section id="main-content" class="content"><div class="main-heading"><span class="rustdoc-breadcrumbs"><a href="../index.html">mscore</a></span><h1>Module <span>algorithm</span><button id="copy-path" title="Copy item path to clipboard">Copy item path</button></h1><rustdoc-toolbar></rustdoc-toolbar><span class="sub-heading"><a class="src" href="../../src/mscore/algorithm/mod.rs.html#1-3">source</a> </span></div><h2 id="modules" class="section-header">Modules<a href="#modules" class="anchor">§</a></h2><ul class="item-table"><li><div class="item-name"><a class="mod" href="isotope/index.html" title="mod mscore::algorithm::isotope">isotope</a></div></li><li><div class="item-name"><a class="mod" href="peptide/index.html" title="mod mscore::algorithm::peptide">peptide</a></div></li><li><div class="item-name"><a class="mod" href="utility/index.html" title="mod mscore::algorithm::utility">utility</a></div></li></ul></section></div></main></body></html>
6 changes: 6 additions & 0 deletions ...orithm/isotope/fn.calculate_transmission_dependent_fragment_ion_isotope_distribution.html
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<!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="generator" content="rustdoc"><meta name="description" content="API documentation for the Rust `calculate_transmission_dependent_fragment_ion_isotope_distribution` fn in crate `mscore`."><title>calculate_transmission_dependent_fragment_ion_isotope_distribution in mscore::algorithm::isotope - Rust</title><script>if(window.location.protocol!=="file:")document.head.insertAdjacentHTML("beforeend","SourceSerif4-Regular-46f98efaafac5295.ttf.woff2,FiraSans-Regular-018c141bf0843ffd.woff2,FiraSans-Medium-8f9a781e4970d388.woff2,SourceCodePro-Regular-562dcc5011b6de7d.ttf.woff2,SourceCodePro-Semibold-d899c5a5c4aeb14a.ttf.woff2".split(",").map(f=>`<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../static.files/${f}">`).join(""))</script><link rel="stylesheet" href="../../../static.files/normalize-76eba96aa4d2e634.css"><link rel="stylesheet" href="../../../static.files/rustdoc-b0742ba02757f159.css"><meta name="rustdoc-vars" data-root-path="../../../" data-static-root-path="../../../static.files/" data-current-crate="mscore" data-themes="" data-resource-suffix="" data-rustdoc-version="1.83.0 (90b35a623 2024-11-26)" data-channel="1.83.0" data-search-js="search-f0d225181b97f9a4.js" data-settings-js="settings-805db61a62df4bd2.js" ><script src="../../../static.files/storage-1d39b6787ed640ff.js"></script><script defer src="sidebar-items.js"></script><script defer src="../../../static.files/main-f070b9041d14864c.js"></script><noscript><link rel="stylesheet" href="../../../static.files/noscript-0111fcff984fae8f.css"></noscript><link rel="alternate icon" type="image/png" href="../../../static.files/favicon-32x32-422f7d1d52889060.png"><link rel="icon" type="image/svg+xml" href="../../../static.files/favicon-2c020d218678b618.svg"></head><body class="rustdoc fn"><!--[if lte IE 11]><div class="warning">This old browser is unsupported and will most likely display funky things.</div><![endif]--><nav class="mobile-topbar"><button class="sidebar-menu-toggle" title="show sidebar"></button></nav><nav class="sidebar"><div class="sidebar-crate"><h2><a href="../../../mscore/index.html">mscore</a><span class="version">0.2.0</span></h2></div><div class="sidebar-elems"><div id="rustdoc-modnav"><h2><a href="index.html">In mscore::<wbr>algorithm::<wbr>isotope</a></h2></div></div></nav><div class="sidebar-resizer"></div><main><div class="width-limiter"><rustdoc-search></rustdoc-search><section id="main-content" class="content"><div class="main-heading"><span class="rustdoc-breadcrumbs"><a href="../../index.html">mscore</a>::<wbr><a href="../index.html">algorithm</a>::<wbr><a href="index.html">isotope</a></span><h1>Function <span class="fn">calculate_transmission_dependent_fragment_ion_isotope_distribution</span><button id="copy-path" title="Copy item path to clipboard">Copy item path</button></h1><rustdoc-toolbar></rustdoc-toolbar><span class="sub-heading"><a class="src" href="../../../src/mscore/algorithm/isotope.rs.html#494-519">source</a> </span></div><pre class="rust item-decl"><code>pub fn calculate_transmission_dependent_fragment_ion_isotope_distribution(
fragment_isotope_dist: &amp;<a class="struct" href="https://doc.rust-lang.org/1.83.0/alloc/vec/struct.Vec.html" title="struct alloc::vec::Vec">Vec</a>&lt;(<a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>, <a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>)&gt;,
comp_fragment_isotope_dist: &amp;<a class="struct" href="https://doc.rust-lang.org/1.83.0/alloc/vec/struct.Vec.html" title="struct alloc::vec::Vec">Vec</a>&lt;(<a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>, <a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>)&gt;,
precursor_isotopes: &amp;<a class="struct" href="https://doc.rust-lang.org/1.83.0/std/collections/hash/set/struct.HashSet.html" title="struct std::collections::hash::set::HashSet">HashSet</a>&lt;<a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.usize.html">usize</a>&gt;,
max_isotope: <a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.usize.html">usize</a>,
) -&gt; <a class="struct" href="https://doc.rust-lang.org/1.83.0/alloc/vec/struct.Vec.html" title="struct alloc::vec::Vec">Vec</a>&lt;(<a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>, <a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>)&gt;</code></pre></section></div></main></body></html>
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<!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="generator" content="rustdoc"><meta name="description" content="convolve two distributions of masses and abundances"><title>convolve in mscore::algorithm::isotope - Rust</title><script>if(window.location.protocol!=="file:")document.head.insertAdjacentHTML("beforeend","SourceSerif4-Regular-46f98efaafac5295.ttf.woff2,FiraSans-Regular-018c141bf0843ffd.woff2,FiraSans-Medium-8f9a781e4970d388.woff2,SourceCodePro-Regular-562dcc5011b6de7d.ttf.woff2,SourceCodePro-Semibold-d899c5a5c4aeb14a.ttf.woff2".split(",").map(f=>`<link rel="preload" as="font" type="font/woff2" crossorigin href="../../../static.files/${f}">`).join(""))</script><link rel="stylesheet" href="../../../static.files/normalize-76eba96aa4d2e634.css"><link rel="stylesheet" href="../../../static.files/rustdoc-b0742ba02757f159.css"><meta name="rustdoc-vars" data-root-path="../../../" data-static-root-path="../../../static.files/" data-current-crate="mscore" data-themes="" data-resource-suffix="" data-rustdoc-version="1.83.0 (90b35a623 2024-11-26)" data-channel="1.83.0" data-search-js="search-f0d225181b97f9a4.js" data-settings-js="settings-805db61a62df4bd2.js" ><script src="../../../static.files/storage-1d39b6787ed640ff.js"></script><script defer src="sidebar-items.js"></script><script defer src="../../../static.files/main-f070b9041d14864c.js"></script><noscript><link rel="stylesheet" href="../../../static.files/noscript-0111fcff984fae8f.css"></noscript><link rel="alternate icon" type="image/png" href="../../../static.files/favicon-32x32-422f7d1d52889060.png"><link rel="icon" type="image/svg+xml" href="../../../static.files/favicon-2c020d218678b618.svg"></head><body class="rustdoc fn"><!--[if lte IE 11]><div class="warning">This old browser is unsupported and will most likely display funky things.</div><![endif]--><nav class="mobile-topbar"><button class="sidebar-menu-toggle" title="show sidebar"></button></nav><nav class="sidebar"><div class="sidebar-crate"><h2><a href="../../../mscore/index.html">mscore</a><span class="version">0.2.0</span></h2></div><div class="sidebar-elems"><section id="rustdoc-toc"><h2 class="location"><a href="#">convolve</a></h2><h3><a href="#">Sections</a></h3><ul class="block top-toc"><li><a href="#examples" title="Examples">Examples</a></li></ul></section><div id="rustdoc-modnav"><h2><a href="index.html">In mscore::<wbr>algorithm::<wbr>isotope</a></h2></div></div></nav><div class="sidebar-resizer"></div><main><div class="width-limiter"><rustdoc-search></rustdoc-search><section id="main-content" class="content"><div class="main-heading"><span class="rustdoc-breadcrumbs"><a href="../../index.html">mscore</a>::<wbr><a href="../index.html">algorithm</a>::<wbr><a href="index.html">isotope</a></span><h1>Function <span class="fn">convolve</span><button id="copy-path" title="Copy item path to clipboard">Copy item path</button></h1><rustdoc-toolbar></rustdoc-toolbar><span class="sub-heading"><a class="src" href="../../../src/mscore/algorithm/isotope.rs.html#38-73">source</a> </span></div><pre class="rust item-decl"><code>pub fn convolve(
dist_a: &amp;<a class="struct" href="https://doc.rust-lang.org/1.83.0/alloc/vec/struct.Vec.html" title="struct alloc::vec::Vec">Vec</a>&lt;(<a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>, <a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>)&gt;,
dist_b: &amp;<a class="struct" href="https://doc.rust-lang.org/1.83.0/alloc/vec/struct.Vec.html" title="struct alloc::vec::Vec">Vec</a>&lt;(<a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>, <a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>)&gt;,
mass_tolerance: <a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>,
abundance_threshold: <a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>,
max_results: <a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.usize.html">usize</a>,
) -&gt; <a class="struct" href="https://doc.rust-lang.org/1.83.0/alloc/vec/struct.Vec.html" title="struct alloc::vec::Vec">Vec</a>&lt;(<a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>, <a class="primitive" href="https://doc.rust-lang.org/1.83.0/std/primitive.f64.html">f64</a>)&gt;</code></pre><details class="toggle top-doc" open><summary class="hideme"><span>Expand description</span></summary><div class="docblock"><p>convolve two distributions of masses and abundances</p>
<p>Arguments:</p>
<ul>
<li><code>dist_a</code> - first distribution of masses and abundances</li>
<li><code>dist_b</code> - second distribution of masses and abundances</li>
<li><code>mass_tolerance</code> - mass tolerance for combining peaks</li>
<li><code>abundance_threshold</code> - minimum abundance for a peak to be included in the result</li>
<li><code>max_results</code> - maximum number of peaks to include in the result</li>
</ul>
<p>Returns:</p>
<ul>
<li><code>Vec&lt;(f64, f64)&gt;</code> - combined distribution of masses and abundances</li>
</ul>
<h2 id="examples"><a class="doc-anchor" href="#examples">§</a>Examples</h2>
<div class="example-wrap"><pre class="rust rust-example-rendered"><code><span class="kw">use </span>mscore::algorithm::isotope::convolve;

<span class="kw">let </span>dist_a = <span class="macro">vec!</span>[(<span class="number">100.0</span>, <span class="number">0.5</span>), (<span class="number">101.0</span>, <span class="number">0.5</span>)];
<span class="kw">let </span>dist_b = <span class="macro">vec!</span>[(<span class="number">100.0</span>, <span class="number">0.5</span>), (<span class="number">101.0</span>, <span class="number">0.5</span>)];
<span class="kw">let </span>result = convolve(<span class="kw-2">&amp;</span>dist_a, <span class="kw-2">&amp;</span>dist_b, <span class="number">1e-6</span>, <span class="number">1e-12</span>, <span class="number">200</span>);
<span class="macro">assert_eq!</span>(result, <span class="macro">vec!</span>[(<span class="number">200.0</span>, <span class="number">0.25</span>), (<span class="number">201.0</span>, <span class="number">0.5</span>), (<span class="number">202.0</span>, <span class="number">0.25</span>)]);</code></pre></div>
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