spectra-nmr-utilities - npm Package Compare versions

Comparing version 1.0.8 to 1.0.9

lib/index.js

 'use strict';
 
-Object.defineProperty(exports, "__esModule", {
-  value: true
-});
-exports.nmrJ = nmrJ;
-exports.joinCoupling = joinCoupling;
-exports.group = group;
-exports.compilePattern = compilePattern;
+Object.defineProperty(exports, '__esModule', { value: true });
 
@@ -14,3 +8,3 @@ const patterns = ['s', 'd', 't', 'q', 'quint', 'h', 'sept', 'o', 'n'];
 function nmrJ(Js, options = {}) {
-  var jString = '';
+  let jString = '';
   options = Object.assign({}, { separator: ', ', nbDecimal: 2 }, options);
@@ -29,10 +23,10 @@ let j, i;
 function joinCoupling(signal, tolerance = 0.05) {
-  var jc = signal.j;
+  let jc = signal.j;
   if (jc && jc.length > 0) {
-    var cont = jc[0].assignment ? jc[0].assignment.length : 1;
+    let cont = jc[0].assignment ? jc[0].assignment.length : 1;
     var pattern = '';
-    var newNmrJs = [];
-    var diaIDs = [];
-    var atoms = [];
-    jc.sort(function (a, b) {
+    let newNmrJs = [];
+    let diaIDs = [];
+    let atoms = [];
+    jc.sort(function(a, b) {
       return b.coupling - a.coupling;
@@ -54,3 +48,3 @@ });
           coupling: Math.abs(jc[i].coupling),
-          multiplicity: patterns[cont]
+          multiplicity: patterns[cont],
         };
@@ -76,3 +70,3 @@ if (diaIDs.length > 0) {
       coupling: Math.abs(jc[i].coupling),
-      multiplicity: patterns[cont]
+      multiplicity: patterns[cont],
     };
@@ -98,3 +92,3 @@ if (diaIDs.length > 0) {
 function group(signals, options = {}) {
-  var i, k;
+  let i, k;
   for (i = 0; i < signals.length; i++) {
@@ -104,4 +98,8 @@ var j = signals[i].j;
       for (k = j.length - 2; k >= 0; k--) {
-        for (var m = j.length - 1; m > k; m--) {
-          if (j[k].diaID === j[m].diaID && j[k].coupling === j[m].coupling && j[k].distance === j[m].distance) {
+        for (let m = j.length - 1; m > k; m--) {
+          if (
+            j[k].diaID === j[m].diaID &&
+            j[k].coupling === j[m].coupling &&
+            j[k].distance === j[m].distance
+          ) {
             j[k].assignment = j[k].assignment.concat(j[m].assignment);
@@ -134,5 +132,3 @@ j.splice(m, 1);
       }
-      // signals[i].multiplicity = module.exports.compilePattern(signals[i], options.tolerance);
     }
-    // console.log(signals[i]);
     signals[i].multiplicity = compilePattern(signals[i], options.tolerance);
@@ -144,10 +140,10 @@ }
 function compilePattern(signal, tolerance = 0.05) {
-  var jc = signal.j;
-  var pattern = '';
+  let jc = signal.j;
+  let pattern = '';
   if (jc && jc.length > 0) {
-    var cont = jc[0].assignment ? jc[0].assignment.length : 0;
-    jc.sort(function (a, b) {
+    let cont = jc[0].assignment ? jc[0].assignment.length : 0;
+    jc.sort(function(a, b) {
       return b.coupling - a.coupling;
     });
-    for (var i = 0; i < jc.length - 1; i++) {
+    for (let i = 0; i < jc.length - 1; i++) {
       if (Math.abs(jc[i].coupling - jc[i + 1].coupling) < tolerance) {
@@ -167,2 +163,7 @@ cont += jc[i + 1].assignment ? jc[i + 1].assignment.length : 1;
   return pattern;
-}
+}
+
+exports.compilePattern = compilePattern;
+exports.group = group;
+exports.joinCoupling = joinCoupling;
+exports.nmrJ = nmrJ;

package.json

 {
   "name": "spectra-nmr-utilities",
-  "version": "1.0.8",
+  "version": "1.0.9",
   "description": "spectra NMR utilities",
@@ -5,0 +5,0 @@ "main": "./lib/index.js",

README.md

 # spectra-nmr-utilities

src/index.js

@@ -1,6 +0,5 @@
-
 const patterns = ['s', 'd', 't', 'q', 'quint', 'h', 'sept', 'o', 'n'];
 
-function nmrJ(Js, options = {}) {
-  var jString = '';
+export function nmrJ(Js, options = {}) {
+  let jString = '';
   options = Object.assign({}, { separator: ', ', nbDecimal: 2 }, options);
@@ -18,11 +17,11 @@ let j, i;
 
-function joinCoupling(signal, tolerance = 0.05) {
-  var jc = signal.j;
+export function joinCoupling(signal, tolerance = 0.05) {
+  let jc = signal.j;
   if (jc && jc.length > 0) {
-    var cont = jc[0].assignment ? jc[0].assignment.length : 1;
+    let cont = jc[0].assignment ? jc[0].assignment.length : 1;
     var pattern = '';
-    var newNmrJs = [];
-    var diaIDs = [];
-    var atoms = [];
-    jc.sort(function (a, b) {
+    let newNmrJs = [];
+    let diaIDs = [];
+    let atoms = [];
+    jc.sort(function(a, b) {
       return b.coupling - a.coupling;
@@ -44,3 +43,3 @@ });
           coupling: Math.abs(jc[i].coupling),
-          multiplicity: patterns[cont]
+          multiplicity: patterns[cont],
         };
@@ -66,3 +65,3 @@ if (diaIDs.length > 0) {
       coupling: Math.abs(jc[i].coupling),
-      multiplicity: patterns[cont]
+      multiplicity: patterns[cont],
     };
@@ -87,4 +86,4 @@ if (diaIDs.length > 0) {
 
-function group(signals, options = {}) {
-  var i, k;
+export function group(signals, options = {}) {
+  let i, k;
   for (i = 0; i < signals.length; i++) {
@@ -94,6 +93,8 @@ var j = signals[i].j;
       for (k = j.length - 2; k >= 0; k--) {
-        for (var m = j.length - 1; m > k; m--) {
-          if (j[k].diaID === j[m].diaID &&
+        for (let m = j.length - 1; m > k; m--) {
+          if (
+            j[k].diaID === j[m].diaID &&
             j[k].coupling === j[m].coupling &&
-            j[k].distance === j[m].distance) {
+            j[k].distance === j[m].distance
+          ) {
             j[k].assignment = j[k].assignment.concat(j[m].assignment);
@@ -126,5 +127,3 @@ j.splice(m, 1);
       }
-      // signals[i].multiplicity = module.exports.compilePattern(signals[i], options.tolerance);
     }
-    // console.log(signals[i]);
     signals[i].multiplicity = compilePattern(signals[i], options.tolerance);
@@ -135,11 +134,11 @@ }
 
-function compilePattern(signal, tolerance = 0.05) {
-  var jc = signal.j;
-  var pattern = '';
+export function compilePattern(signal, tolerance = 0.05) {
+  let jc = signal.j;
+  let pattern = '';
   if (jc && jc.length > 0) {
-    var cont = jc[0].assignment ? jc[0].assignment.length : 0;
-    jc.sort(function (a, b) {
+    let cont = jc[0].assignment ? jc[0].assignment.length : 0;
+    jc.sort(function(a, b) {
       return b.coupling - a.coupling;
     });
-    for (var i = 0; i < jc.length - 1; i++) {
+    for (let i = 0; i < jc.length - 1; i++) {
       if (Math.abs(jc[i].coupling - jc[i + 1].coupling) < tolerance) {
@@ -160,3 +159,1 @@ cont += jc[i + 1].assignment ? jc[i + 1].assignment.length : 1;
 }
-
-module.exports = {compilePattern, group, joinCoupling, nmrJ};

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Improved metrics

Total package byte prevSize

10551

increased by1.19%

Lines of code

294

increased by0.34%

No dependency changes