ml-spectra-processing - npm Package Compare versions

Comparing version 0.2.0 to 0.3.0

History.md

@@ -0,1 +1,12 @@
+# [0.3.0](https://github.com/cheminfo/spectra-processing/compare/v0.2.0...v0.3.0) (2019-08-30)
+
+
+### Features
+
+* **x:** add getTargetIndex ([389c3be](https://github.com/cheminfo/spectra-processing/commit/389c3be))
+* **xy:** add maxClosestYPoint and minClosestYPoint ([85e36fe](https://github.com/cheminfo/spectra-processing/commit/85e36fe))
+* **xy:** add realMinYPoint and realMaxYPoint ([0c628e3](https://github.com/cheminfo/spectra-processing/commit/0c628e3))
+
+
+
 # [0.2.0](https://github.com/cheminfo/spectra-processing/compare/v0.1.5...v0.2.0) (2019-08-17)
@@ -2,0 +13,0 @@

lib/index.js

@@ -115,3 +115,3 @@ 'use strict';
  * @param {boolean} [options.reverse=false] - Integrate from the larger value to the smallest value
- * @return {{x:[],y:[]}} A object with the integration function
+ * @return {{x:[],y:[]}} An object with the integration function
  */
@@ -315,2 +315,179 @@
 
+/**
+ * Find the closest minimum going down hill
+ * @param {object} [points={}] - Object of points contains property x (an ordered increasing array) and y (an array)
+ * @param {object} [options={}]
+ * @param {number} [options.target]
+ * @param {number} [options.targetIndex=0]
+ * @return {{x,y,xIndex}} An object with the x/y value
+ */
+
+function minClosestYPoint(points, options = {}) {
+  check(points);
+  const { x, y } = points;
+
+  let { target, targetIndex } = options;
+
+  if (targetIndex === undefined) {
+    if (target !== undefined) {
+      targetIndex = findClosestIndex(x, target);
+    } else {
+      targetIndex = 0;
+    }
+  }
+
+  let previousIndex = Number.MIN_SAFE_INTEGER;
+  let currentIndex = targetIndex;
+
+  let minY = y[targetIndex];
+
+  while (currentIndex !== previousIndex) {
+    previousIndex = currentIndex;
+    if (currentIndex > 0 && y[currentIndex - 1] < minY) {
+      currentIndex--;
+    } else if (currentIndex < x.length - 1 && y[currentIndex + 1] < minY) {
+      currentIndex++;
+    }
+    minY = y[currentIndex];
+  }
+  return {
+    x: x[currentIndex],
+    y: y[currentIndex],
+    index: currentIndex,
+  };
+}
+
+/**
+ * Find the closest maximum going up hill
+ * @param {object} [points={}] - Object of points contains property x (an ordered increasing array) and y (an array)
+ * @param {object} [options={}]
+ * @param {number} [options.target]
+ * @param {number} [options.targetIndex=0]
+ * @return {{x,y,xIndex}} An object with the x/y value
+ */
+
+function maxClosestYPoint(points, options = {}) {
+  check(points);
+  const { x, y } = points;
+
+  let { target, targetIndex } = options;
+
+  if (targetIndex === undefined) {
+    if (target !== undefined) {
+      targetIndex = findClosestIndex(x, target);
+    } else {
+      targetIndex = 0;
+    }
+  }
+
+  let previousIndex = Number.MIN_SAFE_INTEGER;
+  let currentIndex = targetIndex;
+
+  let maxY = y[targetIndex];
+
+  while (currentIndex !== previousIndex) {
+    previousIndex = currentIndex;
+    if (currentIndex > 0 && y[currentIndex - 1] > maxY) {
+      currentIndex--;
+    } else if (currentIndex < x.length - 1 && y[currentIndex + 1] > maxY) {
+      currentIndex++;
+    }
+    maxY = y[currentIndex];
+  }
+  return {
+    x: x[currentIndex],
+    y: y[currentIndex],
+    index: currentIndex,
+  };
+}
+
+/**
+ *  Returns the targetIndex
+ * @param {array} [x]
+ * @param {object} [options={}]
+ * @param {number} [options.target]
+ * @param {number} [options.targetIndex=0]
+ * @param {number}
+ */
+
+function getTargetIndex(x, options = {}) {
+  let { target, targetIndex } = options;
+  if (targetIndex === undefined) {
+    if (target !== undefined) {
+      return findClosestIndex(x, target);
+    } else {
+      return 0;
+    }
+  }
+  return targetIndex;
+}
+
+function realMinYPoint(points, options = {}) {
+  check(points);
+  const { x, y } = points;
+
+  const targetIndex = getTargetIndex(x, options);
+  // interpolation to a sin() function
+  if (
+    y[targetIndex - 1] < 0 &&
+    y[targetIndex + 1] < 0 &&
+    y[targetIndex] <= y[targetIndex - 1] &&
+    y[targetIndex] <= y[targetIndex + 1]
+  ) {
+    let alpha = 20 * Math.log10(-y[targetIndex - 1]);
+    let beta = 20 * Math.log10(-y[targetIndex]);
+    let gamma = 20 * Math.log10(-y[targetIndex + 1]);
+    let p = (0.5 * (alpha - gamma)) / (alpha - 2 * beta + gamma);
+    return {
+      x: x[targetIndex] + (x[targetIndex] - x[targetIndex - 1]) * p,
+      y: y[targetIndex] - 0.25 * (y[targetIndex - 1] - y[targetIndex + 1]) * p,
+      index: targetIndex,
+    };
+  } else {
+    return {
+      x: x[targetIndex],
+      y: y[targetIndex],
+      index: targetIndex,
+    };
+  }
+}
+
+/**
+ * Find the closest minimum going down hill
+ * @param {object} [points={}] - Object of points contains property x (an ordered increasing array) and y (an array)
+ * @param {object} [options={}]
+ * @param {number} [options.target]
+ * @param {number} [options.targetIndex=0]
+ * @return {{x,y,xIndex}} An object with the x/y value
+ */
+
+function realMaxYPoint(points, options = {}) {
+  check(points);
+  const { x, y } = points;
+  const targetIndex = getTargetIndex(x, options);
+  // interpolation to a sin() function
+  if (
+    y[targetIndex - 1] > 0 &&
+    y[targetIndex + 1] > 0 &&
+    y[targetIndex] >= y[targetIndex - 1] &&
+    y[targetIndex] >= y[targetIndex + 1]
+  ) {
+    let alpha = 20 * Math.log10(y[targetIndex - 1]);
+    let beta = 20 * Math.log10(y[targetIndex]);
+    let gamma = 20 * Math.log10(y[targetIndex + 1]);
+    let p = (0.5 * (alpha - gamma)) / (alpha - 2 * beta + gamma);
+    return {
+      x: x[targetIndex] + (x[targetIndex] - x[targetIndex - 1]) * p,
+      y: y[targetIndex] - 0.25 * (y[targetIndex - 1] - y[targetIndex + 1]) * p,
+      index: targetIndex,
+    };
+  } else {
+    return {
+      x: x[targetIndex],
+      y: y[targetIndex],
+      index: targetIndex,
+    };
+  }
+}
+
 const XY = {
@@ -325,2 +502,6 @@ check,
   sortX,
+  minClosestYPoint,
+  maxClosestYPoint,
+  realMaxYPoint,
+  realMinYPoint,
 };
@@ -601,3 +782,4 @@
   multiply,
-  divide
+  divide,
+  getTargetIndex,
 };
@@ -604,0 +786,0 @@

package.json

 {
   "name": "ml-spectra-processing",
-  "version": "0.2.0",
+  "version": "0.3.0",
   "description": "Various method to process spectra",
@@ -5,0 +5,0 @@ "main": "lib/index.js",

src/x/index.js

@@ -7,2 +7,3 @@ import { findClosestIndex } from './findClosestIndex';
 import { divide } from './divide';
+import { getTargetIndex } from './getTargetIndex';
 
@@ -15,3 +16,4 @@ export const X = {
   multiply,
-  divide
+  divide,
+  getTargetIndex,
 };

src/xy/index.js

@@ -9,4 +9,7 @@ import { check } from './check';
 import { sortX } from './sortX';
+import { minClosestYPoint } from './minClosestYPoint';
+import { maxClosestYPoint } from './maxClosestYPoint';
+import { realMinYPoint } from './realMinYPoint';
+import { realMaxYPoint } from './realMaxYPoint';
 
-
 export const XY = {
@@ -21,2 +24,6 @@ check,
   sortX,
+  minClosestYPoint,
+  maxClosestYPoint,
+  realMaxYPoint,
+  realMinYPoint,
 };

src/xy/integral.js

@@ -13,3 +13,3 @@ import { getFromToIndex } from '../x/getFromToIndex';
  * @param {boolean} [options.reverse=false] - Integrate from the larger value to the smallest value
- * @return {{x:[],y:[]}} A object with the integration function
+ * @return {{x:[],y:[]}} An object with the integration function
  */
@@ -16,0 +16,0 @@

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Improved metrics

Total package byte prevSize

50345

increased by27.72%

Number of package files

34

increased by17.24%

Lines of code

1402

increased by31.77%

No dependency changes