feat: add xDistributionStats

Author: lpatiny

src/__tests__/__snapshots__/index.test.ts.snap

@@ -21,6 +21,7 @@ exports[`test existence of exported functions 1`] = `
   "xCostMatrix",
   "xCrossCorrelation",
   "xCumulative",
+  "xDistributionStats",
   "xDivide",
   "xDotProduct",
   "xEnsureFloat64",

src/matrix/matrixCuthillMckee.ts

@@ -10,12 +10,12 @@
  * copies of the Software, and to permit persons to whom the Software is
  * furnished to do so, subject to the following conditions:
  *
-  The above copyright notice and this permission notice shall be included in
-  all copies or substantial portions of the Software.
- 
-  THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
-  IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
-  FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+ * The above copyright notice and this permission notice shall be included in
+ * all copies or substantial portions of the Software.
+ *
+ * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+ * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+  * FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
   AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
   LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
   OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN

src/x/__tests__/xDistributionStats.test.ts

@@ -0,0 +1,61 @@
+import { expect, test } from 'vitest';
+
+import { xDistributionStats } from '../xDistributionStats';
+
+test('empty array', () => {
+  const data: number[] = [];
+  expect(() => xDistributionStats(data)).toThrow('input must not be empty');
+});
+
+test('one element', () => {
+  const data = [15];
+  const stats = xDistributionStats(data);
+  expect(stats).toStrictEqual({
+    q1: 15,
+    median: 15,
+    q3: 15,
+    min: 15,
+    max: 15,
+    mean: 15,
+    sd: Number.NaN,
+    nb: 1,
+  });
+});
+
+test('4 elements', () => {
+  const data = [15, 13, 17, 7];
+  const stats = xDistributionStats(data);
+  expect(stats).toBeDeepCloseTo({
+    min: 7,
+    q1: 11.5,
+    median: 14,
+    q3: 15.5,
+    max: 17,
+    mean: 13,
+    sd: 4.320493798938574,
+    nb: 4,
+  });
+});
+
+test('5 elements', () => {
+  const data = [1, 2, 3, 4, 5];
+  const stats = xDistributionStats(data);
+  expect(stats).toBeDeepCloseTo({
+    min: 1,
+    q1: 2,
+    median: 3,
+    q3: 4,
+    max: 5,
+    mean: 3,
+    sd: 1.5811388300841898,
+    nb: 5,
+  });
+});
+
+test('typed array', () => {
+  const data = [15, 13, 17, 7];
+  const typedArray = Uint16Array.from(data);
+  expect(xDistributionStats(typedArray)).toStrictEqual(
+    xDistributionStats(data),
+  );
+});

src/x/__tests__/xStandardDeviation.test.ts

@@ -4,18 +4,18 @@ import { xStandardDeviation } from '../xStandardDeviation';
 
 test('standard deviation', () => {
   const data = [15, 13, 17, 7];
-  const s = xStandardDeviation(data);
-  expect(s).toBeCloseTo(Math.sqrt(18.667), 3);
-  expect(xStandardDeviation(data, { unbiased: true })).toBe(s);
+  const sd = xStandardDeviation(data);
+  expect(sd).toBeCloseTo(Math.sqrt(18.667), 3);
+  expect(xStandardDeviation(data, { unbiased: true })).toBe(sd);
   expect(xStandardDeviation(data, { unbiased: false })).toBe(Math.sqrt(14));
 });
 
 test('standard deviation of typed array', () => {
   const data = [15, 13, 17, 7];
   const typedArray = Uint16Array.from(data);
-  const s = xStandardDeviation(typedArray);
-  expect(s).toBeCloseTo(Math.sqrt(18.667), 3);
-  expect(xStandardDeviation(data, { unbiased: true })).toBe(s);
+  const sd = xStandardDeviation(typedArray);
+  expect(sd).toBeCloseTo(Math.sqrt(18.667), 3);
+  expect(xStandardDeviation(data, { unbiased: true })).toBe(sd);
   expect(xStandardDeviation(data, { unbiased: false })).toBe(Math.sqrt(14));
 });
 

src/x/index.ts

@@ -13,6 +13,7 @@ export * from './xCorrelation';
 export * from './xCostMatrix';
 export * from './xCrossCorrelation';
 export * from './xCumulative';
+export * from './xDistributionStats';
 export * from './xDivide';
 export * from './xDotProduct';
 export * from './xEnsureFloat64';

src/x/xDistributionStats.ts

@@ -0,0 +1,34 @@
+import type { NumberArray } from 'cheminfo-types';
+
+import { xBoxPlot } from './xBoxPlot';
+import { xMean } from './xMean';
+import { xStandardDeviation } from './xStandardDeviation';
+
+export interface XDistributionStats {
+  mean: number;
+  min: number;
+  q1: number;
+  median: number;
+  q3: number;
+  max: number;
+  sd: number;
+  nb: number;
+}
+
+/**
+ * Calculate distribution statistics of an array without providing options
+ * This ensure that the statistics are calculated in the same way in all the packages
+ * If the array is empty it will throw an error
+ * If the array has a length of 1, sd will be NaN (unbiased calculation of sd)
+ * @param array - data
+ * @param options
+ * @returns - q1, median, q3, min, max
+ */
+export function xDistributionStats(array: NumberArray): XDistributionStats {
+  return {
+    ...xBoxPlot(array),
+    mean: xMean(array),
+    sd: xStandardDeviation(array),
+    nb: array.length,
+  };
+}