xy-parser - npm Package Compare versions

Comparing version 4.0.1 to 5.0.0

lib-esm/index.d.ts

@@ -1,33 +0,19 @@
-export interface DataXY {
-    x: number[];
-    y: number[];
-}
-export interface ParseXYOptions {
-    rescale?: boolean;
-    uniqueX?: boolean;
-    xColumn?: number;
-    yColumn?: number;
-    keepInfo?: boolean;
-    bestGuess?: boolean;
-    numberColumns?: number;
-    maxNumberColumns?: number;
-    minNumberColumns?: number;
-}
+import { ParseXYOptions } from './ParseXYOptions';
+export * from './ParseXYOptions';
 /**
- * Parse a text-file and convert it to an array of XY points.
+ * Parse a text-file and convert it to an object {x:[], y:[]}
  *
  * @param text - Csv or tsv strings.
- * @param [options={}] -
- * @param [options.rescale = false] - Will set the maximum value to 1.
- * @param [options.uniqueX = false] - Make the X values unique (works only with 'xxyy' format). If the X value is repeated the sum of Y is done.
- * @param [options.xColumn = 0] - A number that specifies the x column.
- * @param [options.yColumn = 1] - A number that specifies the y column.
- * @param [options.bestGuess=false] - Will try to guess which columns are the best.
- * @param [options.numberColumns=Number.MAX_SAFE_INTEGER] - If the file has 10 columns and you specify here 2 it will reflow the file.
- * @param [options.maxNumberColumns = (Math.max(xColumn, yColumn)+1)] - A number that specifies the maximum number of y columns.
- * @param [options.minNumberColumns = (Math.min(xColumn, yColumn)+1)] - A number that specifies the minimum number of y columns.
- * @param [options.keepInfo = false] - Should we keep the non numeric lines. In this case the system will return an object {data, info}.
- * @returns -
+ * @param options - Parsing options
+ * @returns - The parsed data
  */
-export declare function parseXY(text: string, options?: ParseXYOptions): {
+export declare function parseXY(text: string, options?: ParseXYOptions): import("cheminfo-types").DataXY<import("cheminfo-types").DoubleArray>;
+/**
+ * Parse a text-file and returns the parsed data and information about the columns
+ *
+ * @param text - Csv or tsv strings.
+ * @param options - Parsing options
+ * @returns - The parsed data with information about the columns
+ */
+export declare function parseXYAndKeepInfo(text: string, options?: ParseXYOptions): {
     info: {
@@ -37,4 +23,4 @@ position: number;
     }[];
-    data: DataXY;
-} | DataXY;
+    data: import("cheminfo-types").DataXY<import("cheminfo-types").DoubleArray>;
+};
 //# sourceMappingURL=index.d.ts.map

lib-esm/index.js

@@ -1,107 +0,23 @@
-import { ensureString } from 'ensure-string';
-import mlArrayMax from 'ml-array-max';
-import uniqueXFunction from 'ml-arrayxy-uniquex';
-import { xIsMonotone } from 'ml-spectra-processing';
+import { parse } from './parse';
+export * from './ParseXYOptions';
 /**
- * Parse a text-file and convert it to an array of XY points.
+ * Parse a text-file and convert it to an object {x:[], y:[]}
  *
  * @param text - Csv or tsv strings.
- * @param [options={}] -
- * @param [options.rescale = false] - Will set the maximum value to 1.
- * @param [options.uniqueX = false] - Make the X values unique (works only with 'xxyy' format). If the X value is repeated the sum of Y is done.
- * @param [options.xColumn = 0] - A number that specifies the x column.
- * @param [options.yColumn = 1] - A number that specifies the y column.
- * @param [options.bestGuess=false] - Will try to guess which columns are the best.
- * @param [options.numberColumns=Number.MAX_SAFE_INTEGER] - If the file has 10 columns and you specify here 2 it will reflow the file.
- * @param [options.maxNumberColumns = (Math.max(xColumn, yColumn)+1)] - A number that specifies the maximum number of y columns.
- * @param [options.minNumberColumns = (Math.min(xColumn, yColumn)+1)] - A number that specifies the minimum number of y columns.
- * @param [options.keepInfo = false] - Should we keep the non numeric lines. In this case the system will return an object {data, info}.
- * @returns -
+ * @param options - Parsing options
+ * @returns - The parsed data
  */
 export function parseXY(text, options = {}) {
-    let { rescale = false, uniqueX = false, xColumn = 0, yColumn = 1, keepInfo = false, bestGuess = false, numberColumns = Number.MAX_SAFE_INTEGER, maxNumberColumns = Number.MAX_SAFE_INTEGER, minNumberColumns = 2, } = options;
-    text = ensureString(text);
-    maxNumberColumns = Math.max(maxNumberColumns, xColumn + 1, yColumn + 1);
-    minNumberColumns = Math.max(xColumn + 1, yColumn + 1, minNumberColumns);
-    let lines = text.split(/[\r\n]+/);
-    let matrix = [];
-    let info = [];
-    let position = 0;
-    lines.forEach((line) => {
-        line = line.trim();
-        // we will consider only lines that contains only numbers
-        if (/[0-9]+/.test(line) && /^[0-9eE,;. \t+-]+$/.test(line)) {
-            let fields = line.split(/,[; \t]+|[; \t]+/);
-            if (fields.length === 1) {
-                fields = line.split(/[,; \t]+/);
-            }
-            if (fields &&
-                fields.length >= minNumberColumns && // we filter lines that have not enough or too many columns
-                fields.length <= maxNumberColumns) {
-                matrix.push(fields.map((value) => parseFloat(value.replace(',', '.'))));
-                position++;
-            }
-        }
-        else if (line) {
-            info.push({ position, value: line });
-        }
-    });
-    if (bestGuess) {
-        if (matrix[0] &&
-            matrix[0].length === 3 &&
-            options.xColumn === undefined &&
-            options.yColumn === undefined) {
-            // is the first column a seuqnetial number ?
-            let skipFirstColumn = true;
-            for (let i = 0; i < matrix.length - 1; i++) {
-                if (Math.abs(matrix[i][0] - matrix[i + 1][0]) !== 1) {
-                    skipFirstColumn = false;
-                }
-            }
-            if (skipFirstColumn) {
-                xColumn = 1;
-                yColumn = 2;
-            }
-        }
-        if (matrix[0] && matrix[0].length > 3) {
-            const xs = [];
-            for (let row of matrix) {
-                for (let i = xColumn; i < row.length; i += 2) {
-                    xs.push(row[i]);
-                }
-            }
-            if (xIsMonotone(xs)) {
-                numberColumns = 2;
-            }
-        }
-    }
-    if (numberColumns) {
-        const newMatrix = [];
-        for (const row of matrix) {
-            for (let i = 0; i < row.length; i += numberColumns) {
-                newMatrix.push(row.slice(i, i + numberColumns));
-            }
-        }
-        matrix = newMatrix;
-    }
-    const result = {
-        x: matrix.map((row) => row[xColumn]),
-        y: matrix.map((row) => row[yColumn]),
-    };
-    if (uniqueX) {
-        uniqueXFunction(result);
-    }
-    if (rescale) {
-        let maxY = mlArrayMax(result.y);
-        for (let i = 0; i < result.y.length; i++) {
-            result.y[i] /= maxY;
-        }
-    }
-    if (!keepInfo)
-        return result;
-    return {
-        info,
-        data: result,
-    };
+    return parse(text, options).data;
 }
+/**
+ * Parse a text-file and returns the parsed data and information about the columns
+ *
+ * @param text - Csv or tsv strings.
+ * @param options - Parsing options
+ * @returns - The parsed data with information about the columns
+ */
+export function parseXYAndKeepInfo(text, options = {}) {
+    return parse(text, options);
+}
 //# sourceMappingURL=index.js.map

lib/index.d.ts

@@ -1,33 +0,19 @@
-export interface DataXY {
-    x: number[];
-    y: number[];
-}
-export interface ParseXYOptions {
-    rescale?: boolean;
-    uniqueX?: boolean;
-    xColumn?: number;
-    yColumn?: number;
-    keepInfo?: boolean;
-    bestGuess?: boolean;
-    numberColumns?: number;
-    maxNumberColumns?: number;
-    minNumberColumns?: number;
-}
+import { ParseXYOptions } from './ParseXYOptions';
+export * from './ParseXYOptions';
 /**
- * Parse a text-file and convert it to an array of XY points.
+ * Parse a text-file and convert it to an object {x:[], y:[]}
  *
  * @param text - Csv or tsv strings.
- * @param [options={}] -
- * @param [options.rescale = false] - Will set the maximum value to 1.
- * @param [options.uniqueX = false] - Make the X values unique (works only with 'xxyy' format). If the X value is repeated the sum of Y is done.
- * @param [options.xColumn = 0] - A number that specifies the x column.
- * @param [options.yColumn = 1] - A number that specifies the y column.
- * @param [options.bestGuess=false] - Will try to guess which columns are the best.
- * @param [options.numberColumns=Number.MAX_SAFE_INTEGER] - If the file has 10 columns and you specify here 2 it will reflow the file.
- * @param [options.maxNumberColumns = (Math.max(xColumn, yColumn)+1)] - A number that specifies the maximum number of y columns.
- * @param [options.minNumberColumns = (Math.min(xColumn, yColumn)+1)] - A number that specifies the minimum number of y columns.
- * @param [options.keepInfo = false] - Should we keep the non numeric lines. In this case the system will return an object {data, info}.
- * @returns -
+ * @param options - Parsing options
+ * @returns - The parsed data
  */
-export declare function parseXY(text: string, options?: ParseXYOptions): {
+export declare function parseXY(text: string, options?: ParseXYOptions): import("cheminfo-types").DataXY<import("cheminfo-types").DoubleArray>;
+/**
+ * Parse a text-file and returns the parsed data and information about the columns
+ *
+ * @param text - Csv or tsv strings.
+ * @param options - Parsing options
+ * @returns - The parsed data with information about the columns
+ */
+export declare function parseXYAndKeepInfo(text: string, options?: ParseXYOptions): {
     info: {
@@ -37,4 +23,4 @@ position: number;
     }[];
-    data: DataXY;
-} | DataXY;
+    data: import("cheminfo-types").DataXY<import("cheminfo-types").DoubleArray>;
+};
 //# sourceMappingURL=index.d.ts.map

lib/index.js

 "use strict";
-var __importDefault = (this && this.__importDefault) || function (mod) {
-    return (mod && mod.__esModule) ? mod : { "default": mod };
+var __createBinding = (this && this.__createBinding) || (Object.create ? (function(o, m, k, k2) {
+    if (k2 === undefined) k2 = k;
+    Object.defineProperty(o, k2, { enumerable: true, get: function() { return m[k]; } });
+}) : (function(o, m, k, k2) {
+    if (k2 === undefined) k2 = k;
+    o[k2] = m[k];
+}));
+var __exportStar = (this && this.__exportStar) || function(m, exports) {
+    for (var p in m) if (p !== "default" && !Object.prototype.hasOwnProperty.call(exports, p)) __createBinding(exports, m, p);
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.parseXY = void 0;
-const ensure_string_1 = require("ensure-string");
-const ml_array_max_1 = __importDefault(require("ml-array-max"));
-const ml_arrayxy_uniquex_1 = __importDefault(require("ml-arrayxy-uniquex"));
-const ml_spectra_processing_1 = require("ml-spectra-processing");
+exports.parseXYAndKeepInfo = exports.parseXY = void 0;
+const parse_1 = require("./parse");
+__exportStar(require("./ParseXYOptions"), exports);
 /**
- * Parse a text-file and convert it to an array of XY points.
+ * Parse a text-file and convert it to an object {x:[], y:[]}
  *
  * @param text - Csv or tsv strings.
- * @param [options={}] -
- * @param [options.rescale = false] - Will set the maximum value to 1.
- * @param [options.uniqueX = false] - Make the X values unique (works only with 'xxyy' format). If the X value is repeated the sum of Y is done.
- * @param [options.xColumn = 0] - A number that specifies the x column.
- * @param [options.yColumn = 1] - A number that specifies the y column.
- * @param [options.bestGuess=false] - Will try to guess which columns are the best.
- * @param [options.numberColumns=Number.MAX_SAFE_INTEGER] - If the file has 10 columns and you specify here 2 it will reflow the file.
- * @param [options.maxNumberColumns = (Math.max(xColumn, yColumn)+1)] - A number that specifies the maximum number of y columns.
- * @param [options.minNumberColumns = (Math.min(xColumn, yColumn)+1)] - A number that specifies the minimum number of y columns.
- * @param [options.keepInfo = false] - Should we keep the non numeric lines. In this case the system will return an object {data, info}.
- * @returns -
+ * @param options - Parsing options
+ * @returns - The parsed data
  */
 function parseXY(text, options = {}) {
-    let { rescale = false, uniqueX = false, xColumn = 0, yColumn = 1, keepInfo = false, bestGuess = false, numberColumns = Number.MAX_SAFE_INTEGER, maxNumberColumns = Number.MAX_SAFE_INTEGER, minNumberColumns = 2, } = options;
-    text = (0, ensure_string_1.ensureString)(text);
-    maxNumberColumns = Math.max(maxNumberColumns, xColumn + 1, yColumn + 1);
-    minNumberColumns = Math.max(xColumn + 1, yColumn + 1, minNumberColumns);
-    let lines = text.split(/[\r\n]+/);
-    let matrix = [];
-    let info = [];
-    let position = 0;
-    lines.forEach((line) => {
-        line = line.trim();
-        // we will consider only lines that contains only numbers
-        if (/[0-9]+/.test(line) && /^[0-9eE,;. \t+-]+$/.test(line)) {
-            let fields = line.split(/,[; \t]+|[; \t]+/);
-            if (fields.length === 1) {
-                fields = line.split(/[,; \t]+/);
-            }
-            if (fields &&
-                fields.length >= minNumberColumns && // we filter lines that have not enough or too many columns
-                fields.length <= maxNumberColumns) {
-                matrix.push(fields.map((value) => parseFloat(value.replace(',', '.'))));
-                position++;
-            }
-        }
-        else if (line) {
-            info.push({ position, value: line });
-        }
-    });
-    if (bestGuess) {
-        if (matrix[0] &&
-            matrix[0].length === 3 &&
-            options.xColumn === undefined &&
-            options.yColumn === undefined) {
-            // is the first column a seuqnetial number ?
-            let skipFirstColumn = true;
-            for (let i = 0; i < matrix.length - 1; i++) {
-                if (Math.abs(matrix[i][0] - matrix[i + 1][0]) !== 1) {
-                    skipFirstColumn = false;
-                }
-            }
-            if (skipFirstColumn) {
-                xColumn = 1;
-                yColumn = 2;
-            }
-        }
-        if (matrix[0] && matrix[0].length > 3) {
-            const xs = [];
-            for (let row of matrix) {
-                for (let i = xColumn; i < row.length; i += 2) {
-                    xs.push(row[i]);
-                }
-            }
-            if ((0, ml_spectra_processing_1.xIsMonotone)(xs)) {
-                numberColumns = 2;
-            }
-        }
-    }
-    if (numberColumns) {
-        const newMatrix = [];
-        for (const row of matrix) {
-            for (let i = 0; i < row.length; i += numberColumns) {
-                newMatrix.push(row.slice(i, i + numberColumns));
-            }
-        }
-        matrix = newMatrix;
-    }
-    const result = {
-        x: matrix.map((row) => row[xColumn]),
-        y: matrix.map((row) => row[yColumn]),
-    };
-    if (uniqueX) {
-        (0, ml_arrayxy_uniquex_1.default)(result);
-    }
-    if (rescale) {
-        let maxY = (0, ml_array_max_1.default)(result.y);
-        for (let i = 0; i < result.y.length; i++) {
-            result.y[i] /= maxY;
-        }
-    }
-    if (!keepInfo)
-        return result;
-    return {
-        info,
-        data: result,
-    };
+    return (0, parse_1.parse)(text, options).data;
 }
 exports.parseXY = parseXY;
+/**
+ * Parse a text-file and returns the parsed data and information about the columns
+ *
+ * @param text - Csv or tsv strings.
+ * @param options - Parsing options
+ * @returns - The parsed data with information about the columns
+ */
+function parseXYAndKeepInfo(text, options = {}) {
+    return (0, parse_1.parse)(text, options);
+}
+exports.parseXYAndKeepInfo = parseXYAndKeepInfo;
 //# sourceMappingURL=index.js.map

package.json

 {
   "name": "xy-parser",
-  "version": "4.0.1",
+  "version": "5.0.0",
   "description": "Parse a text-file and convert it to an array of XY points",
@@ -44,20 +44,21 @@ "main": "./lib/index.js",
   "devDependencies": {
-    "@types/jest": "^27.0.3",
+    "@types/jest": "^27.4.0",
     "babel-plugin-transform-es2015-modules-commonjs": "^6.26.2",
     "cheminfo-tools": "^1.23.3",
     "codecov": "^3.8.3",
-    "eslint": "^8.4.1",
-    "eslint-config-cheminfo-typescript": "^10.2.4",
-    "jest": "^27.4.5",
+    "eslint": "^8.9.0",
+    "eslint-config-cheminfo-typescript": "^10.3.0",
+    "jest": "^27.5.1",
     "prettier": "^2.5.1",
     "rimraf": "^3.0.2",
-    "ts-jest": "^27.1.1",
-    "typescript": "^4.5.4"
+    "ts-jest": "^27.1.3",
+    "typescript": "^4.5.5"
   },
   "dependencies": {
+    "cheminfo-types": "^0.10.1",
     "ensure-string": "^1.1.0",
-    "ml-array-max": "^1.2.3",
+    "ml-array-max": "^1.2.4",
     "ml-arrayxy-uniquex": "1.0.2",
-    "ml-spectra-processing": "^8.0.3"
+    "ml-spectra-processing": "^10.1.2"
   }
 }

README.md

@@ -29,3 +29,3 @@ # xy-parser
 ```js
-import { parseXY } from "xy-parser";
+import { parseXY } from 'xy-parser';
 const data = `My file
@@ -45,3 +45,3 @@ 1   2
 
-const result2 = parseXY(data, { keepInfo: true });
+const result2 = parseXYAndKeppInfo(data);
 /* result2 ->
@@ -48,0 +48,0 @@ data: {

src/__tests__/ir.test.ts

 import { readFileSync } from 'fs';
 
-import { DataXY, parseXY } from '../index';
+import { parseXY } from '../index';
 
@@ -11,3 +11,3 @@ const path = `${__dirname}/../../testFiles/`;
 
-  let result = parseXY(data) as DataXY;
+  let result = parseXY(data);
   expect(result.x).toBeInstanceOf(Array);
@@ -23,3 +23,3 @@ expect(result.y).toBeInstanceOf(Array);
 
-  let result = parseXY(data) as DataXY;
+  let result = parseXY(data);
 
@@ -26,0 +26,0 @@ let min = Math.min(...result.y);

src/__tests__/mass.test.ts

 import { readFileSync } from 'fs';
 
-import { DataXY, parseXY } from '..';
+import { parseXY } from '..';
 
@@ -12,3 +12,3 @@ const path = `${__dirname}/../../testFiles/`;
 
-    let result = parseXY(data) as DataXY;
+    let result = parseXY(data);
     expect(result.x).toHaveLength(20);
@@ -19,3 +19,3 @@ expect(result.y).toHaveLength(20);
 
-    let result2 = parseXY(data, { bestGuess: true }) as DataXY;
+    let result2 = parseXY(data, { bestGuess: true });
     expect(result2.x).toHaveLength(20);
@@ -31,3 +31,3 @@ expect(result2.y).toHaveLength(20);
 
-    let result = parseXY(data, { xColumn: 1, yColumn: 2 }) as DataXY;
+    let result = parseXY(data, { xColumn: 1, yColumn: 2 });
     expect(result.x).toHaveLength(20);
@@ -38,3 +38,3 @@ expect(result.y).toHaveLength(20);
 
-    let result2 = parseXY(data, { bestGuess: true }) as DataXY;
+    let result2 = parseXY(data, { bestGuess: true });
     expect(result2.x).toHaveLength(20);
@@ -50,3 +50,3 @@ expect(result2.y).toHaveLength(20);
 
-    let result = parseXY(data) as DataXY;
+    let result = parseXY(data);
     expect(result.x).toHaveLength(20);
@@ -57,3 +57,3 @@ expect(result.y).toHaveLength(20);
 
-    let result2 = parseXY(data, { bestGuess: true }) as DataXY;
+    let result2 = parseXY(data, { bestGuess: true });
     expect(result2.x).toHaveLength(20);
@@ -68,3 +68,3 @@ expect(result2.y).toHaveLength(20);
     let data = readFileSync(path + filename).toString();
-    let result = parseXY(data, { numberColumns: 2 }) as DataXY;
+    let result = parseXY(data, { numberColumns: 2 });
     expect(result.x).toHaveLength(34);
@@ -75,3 +75,3 @@ expect(result.y).toHaveLength(34);
 
-    let result2 = parseXY(data, { bestGuess: true }) as DataXY;
+    let result2 = parseXY(data, { bestGuess: true });
     expect(result2.x).toHaveLength(34);
@@ -78,0 +78,0 @@ expect(result2.y).toHaveLength(34);

src/__tests__/uv.test.ts

 import { readFileSync } from 'fs';
 
-import { DataXY, parseXY } from '..';
+import { parseXY } from '..';
 
@@ -11,3 +11,3 @@ const path = `${__dirname}/../../testFiles/`;
 
-  let result = parseXY(data) as DataXY;
+  let result = parseXY(data);
 
@@ -14,0 +14,0 @@ expect(result.x).toBeInstanceOf(Array);

src/__tests__/various.test.ts

 import { readFileSync } from 'fs';
 
-import { DataXY, parseXY } from '..';
+import { parseXY, parseXYAndKeepInfo } from '..';
 
@@ -10,3 +10,3 @@ const path = `${__dirname}/../../testFiles/`;
   let data = readFileSync(path + filename).toString();
-  let result = parseXY(data) as DataXY;
+  let result = parseXY(data);
 
@@ -22,3 +22,3 @@ expect(result.x).toBeInstanceOf(Array);
   let data = readFileSync(path + filename).toString();
-  let result = parseXY(data) as DataXY;
+  let result = parseXY(data);
 
@@ -36,3 +36,3 @@ expect(result.x).toBeInstanceOf(Array);
     uniqueX: true,
-  }) as DataXY;
+  });
 
@@ -48,3 +48,3 @@ expect(result.x).toBeInstanceOf(Array);
     uniqueX: true,
-  }) as DataXY;
+  });
 
@@ -75,5 +75,3 @@ expect(result.x).toBeInstanceOf(Array);
   let data = readFileSync(path + filename).toString();
-  let result = parseXY(data, {
-    keepInfo: true,
-  });
+  let result = parseXYAndKeepInfo(data);
   expect(result).toStrictEqual({
@@ -96,8 +94,15 @@ data: { x: [1, 3, 5], y: [4, 6, 8] },
 
+test('should not use keepInfo', () => {
+  expect(() => {
+    // @ts-expect-error we are testing an old option property
+    parseXY('', { keepInfo: true });
+  }).toThrow(
+    'keepInfo has been deprecated, pelase use the new method parseXYAndKeepInfo',
+  );
+});
+
 test('with scientific notation', () => {
   let filename = 'text8.txt';
   let data = readFileSync(path + filename).toString();
-  let result = parseXY(data, {
-    keepInfo: true,
-  });
+  let result = parseXYAndKeepInfo(data);
   expect(result).toStrictEqual({
@@ -112,5 +117,5 @@ data: { x: [0.11, -11, 0.11], y: [0.22, -22, 0.22] },
   let data = readFileSync(path + filename).toString();
-  let result = parseXY(data, {}) as DataXY;
+  let result = parseXY(data, {});
   expect(result.x).toHaveLength(6472);
   expect(result.y).toHaveLength(6472);
 });

src/index.ts

@@ -1,152 +0,26 @@
-import { ensureString } from 'ensure-string';
-import mlArrayMax from 'ml-array-max';
-import uniqueXFunction from 'ml-arrayxy-uniquex';
-import { xIsMonotone } from 'ml-spectra-processing';
+import { ParseXYOptions } from './ParseXYOptions';
+import { parse } from './parse';
 
-export interface DataXY {
-  x: number[];
-  y: number[];
+export * from './ParseXYOptions';
+
+/**
+ * Parse a text-file and convert it to an object {x:[], y:[]}
+ *
+ * @param text - Csv or tsv strings.
+ * @param options - Parsing options
+ * @returns - The parsed data
+ */
+export function parseXY(text: string, options: ParseXYOptions = {}) {
+  return parse(text, options).data;
 }
-export interface ParseXYOptions {
-  rescale?: boolean;
-  uniqueX?: boolean;
-  xColumn?: number;
-  yColumn?: number;
-  keepInfo?: boolean;
-  bestGuess?: boolean;
-  numberColumns?: number;
-  maxNumberColumns?: number;
-  minNumberColumns?: number;
-}
+
 /**
- * Parse a text-file and convert it to an array of XY points.
+ * Parse a text-file and returns the parsed data and information about the columns
  *
  * @param text - Csv or tsv strings.
- * @param [options={}] -
- * @param [options.rescale = false] - Will set the maximum value to 1.
- * @param [options.uniqueX = false] - Make the X values unique (works only with 'xxyy' format). If the X value is repeated the sum of Y is done.
- * @param [options.xColumn = 0] - A number that specifies the x column.
- * @param [options.yColumn = 1] - A number that specifies the y column.
- * @param [options.bestGuess=false] - Will try to guess which columns are the best.
- * @param [options.numberColumns=Number.MAX_SAFE_INTEGER] - If the file has 10 columns and you specify here 2 it will reflow the file.
- * @param [options.maxNumberColumns = (Math.max(xColumn, yColumn)+1)] - A number that specifies the maximum number of y columns.
- * @param [options.minNumberColumns = (Math.min(xColumn, yColumn)+1)] - A number that specifies the minimum number of y columns.
- * @param [options.keepInfo = false] - Should we keep the non numeric lines. In this case the system will return an object {data, info}.
- * @returns -
+ * @param options - Parsing options
+ * @returns - The parsed data with information about the columns
  */
-export function parseXY(
-  text: string,
-  options: ParseXYOptions = {},
-):
-  | {
-      info: { position: number; value: string }[];
-      data: DataXY;
-    }
-  | DataXY {
-  let {
-    rescale = false,
-    uniqueX = false,
-    xColumn = 0,
-    yColumn = 1,
-    keepInfo = false,
-    bestGuess = false,
-    numberColumns = Number.MAX_SAFE_INTEGER,
-    maxNumberColumns = Number.MAX_SAFE_INTEGER,
-    minNumberColumns = 2,
-  } = options;
-
-  text = ensureString(text);
-
-  maxNumberColumns = Math.max(maxNumberColumns, xColumn + 1, yColumn + 1);
-  minNumberColumns = Math.max(xColumn + 1, yColumn + 1, minNumberColumns);
-
-  let lines = text.split(/[\r\n]+/);
-
-  let matrix: number[][] = [];
-  let info: { position: number; value: string }[] = [];
-  let position = 0;
-  lines.forEach((line) => {
-    line = line.trim();
-    // we will consider only lines that contains only numbers
-    if (/[0-9]+/.test(line) && /^[0-9eE,;. \t+-]+$/.test(line)) {
-      let fields = line.split(/,[; \t]+|[; \t]+/);
-      if (fields.length === 1) {
-        fields = line.split(/[,; \t]+/);
-      }
-      if (
-        fields &&
-        fields.length >= minNumberColumns && // we filter lines that have not enough or too many columns
-        fields.length <= maxNumberColumns
-      ) {
-        matrix.push(fields.map((value) => parseFloat(value.replace(',', '.'))));
-        position++;
-      }
-    } else if (line) {
-      info.push({ position, value: line });
-    }
-  });
-
-  if (bestGuess) {
-    if (
-      matrix[0] &&
-      matrix[0].length === 3 &&
-      options.xColumn === undefined &&
-      options.yColumn === undefined
-    ) {
-      // is the first column a seuqnetial number ?
-      let skipFirstColumn = true;
-      for (let i = 0; i < matrix.length - 1; i++) {
-        if (Math.abs(matrix[i][0] - matrix[i + 1][0]) !== 1) {
-          skipFirstColumn = false;
-        }
-      }
-      if (skipFirstColumn) {
-        xColumn = 1;
-        yColumn = 2;
-      }
-    }
-    if (matrix[0] && matrix[0].length > 3) {
-      const xs: number[] = [];
-      for (let row of matrix) {
-        for (let i = xColumn; i < row.length; i += 2) {
-          xs.push(row[i]);
-        }
-      }
-      if (xIsMonotone(xs)) {
-        numberColumns = 2;
-      }
-    }
-  }
-
-  if (numberColumns) {
-    const newMatrix: number[][] = [];
-    for (const row of matrix) {
-      for (let i = 0; i < row.length; i += numberColumns) {
-        newMatrix.push(row.slice(i, i + numberColumns));
-      }
-    }
-    matrix = newMatrix;
-  }
-  const result = {
-    x: matrix.map((row) => row[xColumn]),
-    y: matrix.map((row) => row[yColumn]),
-  };
-
-  if (uniqueX) {
-    uniqueXFunction(result);
-  }
-
-  if (rescale) {
-    let maxY = mlArrayMax(result.y);
-    for (let i = 0; i < result.y.length; i++) {
-      result.y[i] /= maxY;
-    }
-  }
-
-  if (!keepInfo) return result;
-
-  return {
-    info,
-    data: result,
-  };
+export function parseXYAndKeepInfo(text: string, options: ParseXYOptions = {}) {
+  return parse(text, options);
 }

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Improved metrics

Total package byte prevSize

43299

increased by10.98%

Number of package files

35

increased by94.44%

Lines of code

854

increased by33.02%

Worsened metrics

Dependency count

5

increased by25%

Number of medium supply chain risk alerts

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increased byInfinity%

Dependency changes

• + Addedcheminfo-types@^0.10.1

• + Addedbinary-search@1.3.6(transitive)

• + Addedcheminfo-types@0.10.1(transitive)

• + Addedml-spectra-processing@10.3.0(transitive)

• + Addedml-xsadd@2.0.0(transitive)

• - Removedcheminfo-types@0.9.1(transitive)

• - Removedml-array-mean@1.1.6(transitive)

• - Removedml-array-median@1.1.6(transitive)

• - Removedml-array-sequential-fill@1.1.8(transitive)

• - Removedml-array-standard-deviation@1.1.8(transitive)

• - Removedml-array-sum@1.1.6(transitive)

• - Removedml-array-variance@1.1.8(transitive)

• - Removedml-spectra-processing@8.3.1(transitive)

• Updatedml-array-max@^1.2.4

• Updatedml-spectra-processing@^10.1.2