nmr-correlation - npm Package Compare versions

Comparing version 1.1.1 to 1.1.2

package.json

 {
   "name": "nmr-correlation",
-  "version": "1.1.1",
+  "version": "1.1.2",
   "description": "Create and manage correlations from 1D and 2D NMR data",
@@ -5,0 +5,0 @@ "main": "dist/index.js",

src/CorrelationManager.js

@@ -7,120 +7,70 @@ import Correlation from './model/Correlation';
 
-const defaultTolerance = {
-  C: 0.25,
-  H: 0.02,
-  N: 0.25,
-  F: 0.25,
-  Si: 0.25,
-  P: 0.25,
-};
-
 export default class CorrelationManager {
-  constructor(options = {}, spectra = [], values = []) {
-    this.options = options;
-    if (!this.options.tolerance) {
-      this.options.tolerance = defaultTolerance;
-    }
-    this.state = {};
-    this.spectra = spectra;
-    this.values = values.map(
-      (correlation) => new Correlation({ ...correlation }),
-    );
+  static getOptions(data) {
+    return data.options;
   }
 
-  getOptions() {
-    return this.options;
+  static getState(data) {
+    return data.state;
   }
 
-  setOptions(options = {}) {
-    this.options = options;
+  static getCorrelations(data) {
+    return data.values;
   }
 
-  setOption(key, value) {
-    this.setOptions({ ...this.options, [key]: value });
+  static getCorrelationIndex(data, id) {
+    return data.values.findIndex((correlation) => correlation.getID() === id);
   }
 
-  deleteOption(key) {
-    delete this.options[key];
+  static addCorrelation(data, correlation) {
+    data.values = data.values.concat([correlation]);
+    return data;
   }
 
-  setMF(mf) {
-    this.setOption('mf', mf);
-    this.build();
+  static deleteCorrelation(data, id) {
+    data.values = data.values.filter((correlation) => correlation.id !== id);
+    return data;
   }
 
-  unsetMF() {
-    this.deleteOption('mf');
-  }
+  static setCorrelation(data, id, correlation) {
+    let correlationIndex = data.values.findIndex(
+      (_correlation) => _correlation.id === id,
+    );
+    const _values = data.values.slice();
+    _values.splice(correlationIndex, 1, correlation);
+    data.values = _values;
 
-  getMF() {
-    return this.getOptions().mf;
+    return data;
   }
 
-  setTolerance(tolerance) {
-    this.setOption('tolerance', tolerance);
-    this.build();
+  static buildCorrelationObjects(data) {
+    return data && data.values
+      ? data.values.map((correlation) => new Correlation({ ...correlation }))
+      : [];
   }
 
-  getTolerance() {
-    return this.getOptions().tolerance;
+  static init(data) {
+    if (data) {
+      data.values = CorrelationManager.buildCorrelationObjects(data);
+      return data;
+    }
+    return { values: [], state: {}, options: {} };
   }
 
-  getState() {
-    return this.state;
-  }
-
-  getSpectra() {
-    return this.spectra;
-  }
-
-  setSpectra(spectra) {
-    this.spectra = spectra;
-    this.build();
-  }
-
-  getCorrelations() {
-    return this.values;
-  }
-
-  getCorrelationIndex(id) {
-    return this.values.findIndex((correlation) => correlation.getID() === id);
-  }
-
-  getData() {
-    return {
-      options: Object.assign({}, this.options),
-      values: this.values.slice(),
-      state: Object.assign({}, this.state),
+  static build(spectra, mf, tolerance, prevData) {
+    const values = buildCorrelationsData(
+      spectra,
+      mf,
+      tolerance,
+      CorrelationManager.buildCorrelationObjects(prevData),
+    );
+    const data = {
+      values,
+      options: { mf, tolerance },
     };
-  }
+    const correlationsState = buildCorrelationsState(data);
+    data.state = correlationsState;
 
-  addCorrelation(correlation) {
-    this.values = this.values.concat([correlation]);
-    this.build();
+    return data;
   }
-
-  deleteCorrelation(id) {
-    this.values = this.values.filter((correlation) => correlation.id !== id);
-    this.build();
-  }
-
-  setCorrelation(id, correlation) {
-    let correlationIndex = this.values.findIndex(
-      (_correlation) => _correlation.id === id,
-    );
-    const _values = this.values.slice();
-    _values.splice(correlationIndex, 1, correlation);
-    this.values = _values;
-    this.build();
-  }
-
-  build() {
-    this.values = buildCorrelationsData(
-      this.getSpectra(),
-      this.getMF(),
-      this.getTolerance(),
-      this.getCorrelations(),
-    );
-    this.state = buildCorrelationsState(this.getData());
-  }
 }

src/index.js

 export { default as CorrelationManager } from './CorrelationManager';
 export { default as Correlation } from './model/Correlation';
 export { default as Link } from './model/Link';
-export * as CorrelationUtilities from './utilities/CorrelationUtilities';
-export * as GeneralUtilities from './utilities/GeneralUtilities';
-export * as ProtonsCountUtilities from './utilities/ProtonsCountUtilities';
+export * as Utilities from './utilities/GeneralUtilities';

src/utilities/CorrelationUtilities.js

@@ -455,6 +455,6 @@ import lodash from 'lodash';
 
-const buildCorrelationsState = (correlationData) => {
+const buildCorrelationsState = (correlationsData) => {
   const state = {};
-  const atoms = getAtomCounts(correlationData);
-  const atomTypesInCorrelations = correlationData.values.reduce(
+  const atoms = getAtomCounts(correlationsData);
+  const atomTypesInCorrelations = correlationsData.values.reduce(
     (array, correlation) =>
@@ -469,3 +469,3 @@ array.includes(correlation.getAtomType())
     const correlationsAtomType = getCorrelationsByAtomType(
-      correlationData.values,
+      correlationsData.values,
       atomType,
@@ -498,3 +498,3 @@ );
         // add protons count from pseudo correlations without any pseudo HSQC correlation
-        correlationData.values.forEach((correlation) => {
+        correlationsData.values.forEach((correlation) => {
           if (
@@ -522,3 +522,3 @@ correlation.getPseudo() === true &&
               ? array.concat(
-                  getCorrelationIndex(correlationData.values, correlation),
+                  getCorrelationIndex(correlationsData.values, correlation),
                 )
@@ -546,3 +546,3 @@ : array,
               ? array.concat(
-                  getCorrelationIndex(correlationData.values, correlation),
+                  getCorrelationIndex(correlationsData.values, correlation),
                 )
@@ -549,0 +549,0 @@ : array,

src/utilities/generateID.js

@@ -1,2 +0,2 @@
-// the whole file content was copied from https://github.com/cheminfo/nmr-displayer/blob/master/src/data/utilities/generateID.js on master branch on 15th February 2021 at 11:25 AM
+// this file content was copied from https://github.com/cheminfo/nmr-displayer/blob/master/src/data/utilities/generateID.js in "master" branch on 15th February 2021 at 11:25 AM (commit 3d8d70c)
 
@@ -3,0 +3,0 @@ const BASE62 = '0123456789abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ';

No alert changes

Worsened metrics

Total package byte prevSize

637207

decreased by-0.12%

Lines of code

19072

decreased by-0.22%

No dependency changes