nmr-processing - npm Package Compare versions

Comparing version 1.2.0 to 1.3.0

CHANGELOG.md

 # Changelog
 
+## [1.3.0](https://www.github.com/cheminfo/nmr-processing/compare/v1.2.0...v1.3.0) (2021-05-11)
+
+
+### Features
+
+* splitPatterns allows spaces ([6a41404](https://www.github.com/cheminfo/nmr-processing/commit/6a4140455ce571c9f609f622a82a91b5970f59c1))
+
+
+### Bug Fixes
+
+* join overlaped ranges ([04e164b](https://www.github.com/cheminfo/nmr-processing/commit/04e164b3e8dd4998ced8e1a5e125bd2663d9c803))
+* update dependencies ([18bb254](https://www.github.com/cheminfo/nmr-processing/commit/18bb254515efaac5bcb462824dd52e9880ecc798))
+* use cross-fetch instead of node-fetch for browser compatibility ([ba92bac](https://www.github.com/cheminfo/nmr-processing/commit/ba92bac64de76a5f897a38f3f140d0f5d5830ce0))
+
 ## [1.2.0](https://www.github.com/cheminfo/nmr-processing/compare/v1.1.0...v1.2.0) (2021-04-05)
@@ -4,0 +18,0 @@

package.json

 {
   "name": "nmr-processing",
-  "version": "1.2.0",
+  "version": "1.3.0",
   "description": "",
@@ -42,7 +42,7 @@ "main": "lib/index.js",
   "devDependencies": {
-    "@babel/plugin-transform-modules-commonjs": "^7.13.8",
-    "@types/jest": "^26.0.21",
+    "@babel/plugin-transform-modules-commonjs": "^7.14.0",
+    "@types/jest": "^26.0.23",
     "cheminfo-build": "^1.1.10",
-    "eslint": "^7.22.0",
-    "eslint-config-cheminfo": "^5.2.3",
+    "eslint": "^7.26.0",
+    "eslint-config-cheminfo": "^5.2.4",
     "esm": "^3.2.25",
@@ -55,4 +55,4 @@ "jest": "^26.6.3",
     "openchemlib": "^7.4.0",
-    "prettier": "^2.2.1",
-    "rollup": "^2.42.4"
+    "prettier": "^2.3.0",
+    "rollup": "^2.47.0"
   },
@@ -62,2 +62,3 @@ "dependencies": {
     "binary-search": "^1.3.6",
+    "cross-fetch": "^3.1.4",
     "form-data": "^4.0.0",
@@ -71,3 +72,3 @@ "is-any-array": "^1.0.0",
     "ml-levenberg-marquardt": "^3.1.1",
-    "ml-matrix": "^6.7.0",
+    "ml-matrix": "^6.8.0",
     "ml-matrix-convolution": "^1.0.0",
@@ -78,7 +79,6 @@ "ml-matrix-peaks-finder": "^1.0.0",
     "ml-sparse-matrix": "^2.1.0",
-    "ml-spectra-processing": "^5.9.0",
-    "node-fetch": "^2.6.1",
-    "openchemlib-utils": "^1.0.0",
+    "ml-spectra-processing": "^6.5.0",
+    "openchemlib-utils": "^1.1.0",
     "spectrum-generator": "^4.7.1"
   }
 }

src/peaks/util/joinRanges.js

@@ -5,6 +5,7 @@ export function joinRanges(ranges) {
     if (ranges[i].to > ranges[i + 1].from) {
-      ranges[i].to = ranges[i + 1].to;
+      ranges[i].to = Math.max(ranges[i + 1].to, ranges[i].to);
       ranges[i].signal = ranges[i].signal.concat(ranges[i + 1].signal);
       ranges[i].integral += ranges[i + 1].integral;
       ranges.splice(i + 1, 1);
+      i--;
     }
@@ -11,0 +12,0 @@ }

src/prediction/predictionProton.js

@@ -0,3 +1,3 @@
+import fetch from 'cross-fetch';
 import FormData from 'form-data';
-import fetch from 'node-fetch';
 import {
@@ -4,0 +4,0 @@ addDiastereotopicMissingChirality,

src/utilities/splitPatterns.js

 export function splitPatterns(multiplet) {
-  return multiplet
-    .split(/(quint|hex|sept|hept|oct|nona|non|s|d|t|q|h|o|n)/)
-    .filter((entry) => entry);
+  let result = multiplet.match(
+    / *(quint|hex|sept|hept|oct|nona|non|s|d|t|q|h|o|n) */g,
+  );
+  if (result) result = result.map((entry) => entry.trim());
+  return result;
 }

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Improved metrics

Total package byte prevSize

327799

increased by0.26%

Lines of code

12307

increased by0.03%

Dependency changes

• + Addedcross-fetch@^3.1.4

• + Addedcross-fetch@3.1.8(transitive)

• - Removednode-fetch@^2.6.1

• - Removedml-spectra-processing@5.10.0(transitive)

• Updatedml-matrix@^6.8.0

• Updatedml-spectra-processing@^6.5.0

• Updatedopenchemlib-utils@^1.1.0