chemcalc - npm Package Compare versions

Comparing version 2.1.3 to 2.1.4

package.json

 {
   "name": "chemcalc",
-  "version": "2.1.3",
+  "version": "2.1.4",
   "description": "Analyse molecular formula",
   "main": "dist/chemcalc.js",
   "scripts": {
+    "test": "mocha --require should --reporter mocha-better-spec-reporter --recursive",
     "build": "gulp update && gulp build:min"
@@ -44,5 +45,8 @@ },
     "gulp": "^3.8.11",
-    "gwt-api-exporter": "^1.0.1",
-    "minimist": "^1.1.1"
+    "gwt-api-exporter": "^1.1.0",
+    "minimist": "^1.1.1",
+    "mocha": "latest",
+    "mocha-better-spec-reporter": "latest",
+    "should": "latest"
   }
 }

README.md

 # chemcalc-js
 
+  [![NPM version][npm-image]][npm-url]
+  [![build status][travis-image]][travis-url]
+  [![npm download][download-image]][download-url]
+
 Library allowing to manipulate and find molecular formula.  
@@ -57,3 +61,3 @@ This library contains 2 main functions: <b>analyzeMF</b> and <b>mfFromMonoisotopicMass</b>.
 
-* `isotopomers` - Should we calculate the isotompers, possible values are xy, jcamp, array or any combination (default: false). The use of "array" allows to get back a javascript array for further processing.
+* `isotopomers` - Should we calculate the isotompers, possible values are xy, jcamp, array or any comma-separated combination (default: false). The use of "arrayXYXY" or "arrayXXYY" allows to get back a javascript array for further processing.
 * `resolution` - Specify the resolution to calculate the information (default: 0.001)
@@ -69,3 +73,3 @@ * `threshold` - Intensity cutoff (default: 1e-5)
 `Chemcalc.analyzeMF("CH3CH2Cl")` Retrieve a JSON containing the information about all the parts of this molecular formula. In this case there is only one part.  
-`Chemcalc.analyzeMF("CH3CH2Cl",{isotopomers:"xy,jcamp",reolustion:0.0001})` Retrieve a JSON containing the information for a molecular formula with a resolution of 0.0001 and calculate also the isotopomers as a jcamp and xy.  
+`Chemcalc.analyzeMF("CH3CH2Cl",{isotopomers:"xy,jcamp",resolution:0.0001})` Retrieve a JSON containing the information for a molecular formula with a resolution of 0.0001 and calculate also the isotopomers as a jcamp and xy.  
 `Chemcalc.analyzeMF("RuClH(CO)(PPh3)3")` MF containing groups (like "Ph") and parenthesis.  
@@ -132,2 +136,18 @@ `Chemcalc.analyzeMF("CuSO4.5H2O")` MF containing many parts.
 * `mf` - string with the molecular formula
-* `options` - object with requested fragments. Default: `{a:false, b:true, c:false, x:false, y:true, z:false, i:false}`
+* `options` - object with requested fragments. Default: `{a:false, b:true, c:false, x:false, y:true, z:false, i:false}`
+
+## Development
+
+To build the project, run `gulp build:min`  
+To test the build, run `npm test`
+
+## License
+
+  [BSD](./LICENSE)
+
+[npm-image]: https://img.shields.io/npm/v/chemcalc.svg?style=flat-square
+[npm-url]: https://npmjs.org/package/chemcalc
+[travis-image]: https://img.shields.io/travis/cheminfo/chemcalc-js/master.svg?style=flat-square
+[travis-url]: https://travis-ci.org/cheminfo/chemcalc-js
+[download-image]: https://img.shields.io/npm/dm/chemcalc.svg?style=flat-square
+[download-url]: https://npmjs.org/package/chemcalc

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Improved metrics

Total package byte prevSize

144094

increased by0.94%

Number of package files

5

increased by25%

Lines of code

1009

increased by0.3%

Number of lines in readme file

151

increased by16.15%

Number of medium supply chain risk alerts

0

decreased by-100%

Worsened metrics

Dev dependency count

6

increased by100%

No dependency changes