mljs · ghost · Oct 20, 2023 · Oct 20, 2023 · Oct 23, 2023 · Oct 23, 2023
diff --git a/.gitignore b/.gitignore
@@ -39,3 +39,4 @@ jspm_packages
 lib
 
 lib-esm
+*.cpuprofile
diff --git a/.prettierignore b/.prettierignore
@@ -0,0 +1 @@
+src/__tests__/data/*.json
diff --git a/benchmark/cubic.mjs b/benchmark/cubic.mjs
@@ -0,0 +1,34 @@
+/** 
+ * Data produced with
+  const yVal =
+    ((6.02 * (i / 100)) ^ 3) +
+    3.01 * (i / 100) ** 2 +
+    2.55 * i/100 +
+    5 +
+    Math.random();
+*/
+
+import { readFileSync } from 'fs';
+import { join } from 'path';
+
+import { PolynomialRegression } from '../lib/index.js';
+
+const __dirname = new URL('.', import.meta.url).pathname;
+const data = JSON.parse(
+  readFileSync(
+    join(__dirname, '..', 'src', '__tests__', 'data', 'large_cubic.json'),
+    'utf8',
+  ),
+);
+
+/**
+ *   const yVal =
+    6.3 * (i / 5000) ** 3 +
+    3.01 * (i / 1000) ** 2 +
+    (2.55 / 100) * i +
+    5 +
+    Math.random();
+ */
+const result = new PolynomialRegression(data.x, data.y, 3);
+
+console.log(result.coefficients);
diff --git a/demo/example.tsx b/demo/example.tsx
@@ -0,0 +1,68 @@
+import React from 'react';
+import { PolynomialRegression } from '../src/index';
+import {
+  Plot,
+  LineSeries,
+  Axis,
+  Legend,
+  Heading,
+  SeriesPoint,
+} from 'react-plot';
+
+import { x, y } from '../src/__tests__/data/tricky.data';
+
+const data = x.map((x, i) => ({ x, y: y[i] }));
+
+const calculations: SeriesPoint[][] = [];
+const degree: number[] = [];
+for (let i = 2; i <= 7; i++) {
+  const r = new PolynomialRegression(x, y, i);
+  const plot = r.predict(x).map((y, i) => ({ x: x[i], y }));
+  degree.push(r.degree);
+  calculations.push(plot);
+}
+
+export const Example = () => (
+  <Plot
+    width={1000}
+    height={1000}
+    margin={{ bottom: 50, left: 90, top: 50, right: 100 }}
+  >
+    <Heading
+      title="Electrical characterization"
+      subtitle="Current vs Voltage"
+    />
+    <LineSeries
+      data={data}
+      xAxis="x"
+      yAxis="y"
+      lineStyle={{ strokeWidth: 3 }}
+      label="Raw Data"
+      displayMarkers={false}
+    />
+    {calculations.map((plot, i) => (
+      <LineSeries
+        key={i}
+        data={plot}
+        xAxis="x"
+        yAxis="y"
+        label={`${degree[i]} degree polynomial`}
+      />
+    ))}
+    <Axis
+      id="x"
+      position="bottom"
+      label="Drain voltage [V]"
+      displayPrimaryGridLines
+      // max={Math.max(...x) * 1.1}
+    />
+    <Axis
+      id="y"
+      position="left"
+      label="Drain current [mA]"
+      displayPrimaryGridLines
+      // max={Math.max(...y) * 1.1}
+    />
+    <Legend position="right" />
+  </Plot>
+);
diff --git a/demo/index.html b/demo/index.html
@@ -0,0 +1,34 @@
+<!doctype html>
+<html lang="en">
+  <head>
+    <meta charset="UTF-8" />
+    <meta http-equiv="X-UA-Compatible" content="IE=edge" />
+    <meta name="viewport" content="width=device-width, initial-scale=1.0" />
+    <title>1D Spectra</title>
+    <style>
+      * {
+        padding: 0.5rem;
+        margin: 0;
+        box-sizing: border-box;
+      }
+      body {
+        padding-top: 2rem;
+      }
+      label {
+        border-radius: 50% 25% 40% 10%;
+        border: 1.5px solid #ccc;
+        display: inline-block;
+        padding: 1rem;
+        margin: 1rem;
+      }
+      label:hover {
+        cursor: pointer;
+        background-color: bisque;
+      }
+    </style>
+  </head>
+  <body>
+    <div id="root"></div>
+    <script type="module" src="./main.tsx"></script>
+  </body>
+</html>
diff --git a/demo/main.tsx b/demo/main.tsx
@@ -0,0 +1,9 @@
+import React from 'react'
+import ReactDOM from 'react-dom/client'
+import { Example } from './example'
+
+ReactDOM.createRoot(document.getElementById('root') as HTMLElement).render(
+  <React.StrictMode>
+    <Example />
+  </React.StrictMode>,
+)
diff --git a/package.json b/package.json
@@ -11,8 +11,10 @@
     "lib-esm"
   ],
   "scripts": {
+    "benchmark": "npm run tsc && node --cpu-prof ./benchmark/cubic.mjs",
     "check-types": "tsc --noEmit",
     "clean": "rimraf lib lib-esm",
+    "demo": "vite demo --open --base ./",
     "eslint": "eslint src",
     "eslint-fix": "npm run eslint -- --fix",
     "prepack": "npm run tsc",
@@ -36,17 +38,21 @@
   },
   "homepage": "https://github.com/mljs/regression-polynomial#readme",
   "devDependencies": {
-    "@vitest/coverage-v8": "^0.34.5",
-    "eslint": "^8.50.0",
+    "@vitejs/plugin-react": "^4.1.0",
+    "@vitest/coverage-v8": "^0.34.6",
+    "eslint": "^8.51.0",
     "eslint-config-cheminfo-typescript": "^12.0.4",
     "prettier": "^3.0.3",
+    "react": "^18.2.0",
+    "react-plot": "^1.4.2",
     "rimraf": "^5.0.5",
     "typescript": "^5.2.2",
-    "vitest": "^0.34.5"
+    "vite": "^4.5.0",
+    "vitest": "^0.34.6"
   },
   "dependencies": {
     "cheminfo-types": "^1.7.2",
-    "ml-matrix": "^6.10.5",
+    "ml-matrix": "^6.10.7",
     "ml-regression-base": "^3.0.0"
   }
-}
+}
diff --git a/src/__tests__/data/degree5.data.ts b/src/__tests__/data/degree5.data.ts
@@ -0,0 +1,6 @@
+export const x = [
+  50, 50, 50, 70, 70, 70, 80, 80, 80, 90, 90, 90, 100, 100, 100,
+];
+export const y = [
+  3.3, 2.8, 2.9, 2.3, 2.6, 2.1, 2.5, 2.9, 2.4, 3.0, 3.1, 2.8, 3.3, 3.5, 3.0,
+];
Original file line number	Diff line number	Diff line change
Expand Up		@@ -39,3 +39,4 @@ jspm_packages
		lib

		lib-esm
		*.cpuprofile