feat: creates new element from a JCAMP

cheminfo · Nov 4, 2016 · 1c6089a · 1c6089a
1 parent 2b691e7
commit 1c6089a
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Showing 5 changed files with 55 additions and 41 deletions.
diff --git a/package.json b/package.json
@@ -51,11 +51,11 @@
     "eslint": "^3.4.0",
     "eslint-config-cheminfo": "^1.2.0",
     "eslint-plugin-no-only-tests": "^1.1.0",
-    "jcampconverter": "^2.3.0",
     "nyc": "^8.3.0"
   },
   "dependencies": {
     "binary-search": "^1.3.2",
+    "jcampconverter": "^2.3.0",
     "ml-gsd": "mljs/global-spectral-deconvolution#peak-high",
     "ml-regression": "^4.1.1"
   }

diff --git a/src/fromJcamp.js b/src/fromJcamp.js
@@ -0,0 +1,16 @@
+'use strict';
+
+const Chromatogram = require('./Chromatogram');
+const converter = require('jcampconverter').convert;
+
+/**
+ * Creates a new Chromatogram element based in a JCAMP string
+ * @param {string} jcamp - String containing the JCAMP data
+ * @return {Chromatogram} - New class element with the given data
+ */
+function fromJcamp(jcamp) {
+    const data = converter(jcamp, {newGCMS: true}).gcms;
+    return new Chromatogram(data);
+}
+
+module.exports = fromJcamp;
diff --git a/src/index.js b/src/index.js
@@ -14,3 +14,4 @@ exports.kovats = require('./kovats');
 exports.getKovatsTable = require('./getKovatsTable');
 exports.kovatsConversionFunction = require('./kovatsConversionFunction');
 exports.rescaleTime = require('./rescaleTime');
+exports.fromJcamp = require('./fromJcamp');
diff --git a/test/loadJcamp.js b/test/loadJcamp.js
@@ -3,14 +3,13 @@ import {convert} from 'jcampconverter';
 import fs from 'fs';
 import Promise from 'bluebird';
 import {join} from 'path';
-import {Chromatogram} from '..';
+import {Chromatogram, fromJcamp} from '..';
 
 const readFileAsync = Promise.promisify(fs.readFile);
 
 test('load JCAMP', async t => {
     const path = join(__dirname, 'data/jcamp/MixC8-C40_140630.JDX');
     const jcamp = await readFileAsync(path, 'utf8');
-    const data = convert(jcamp, {newGCMS: true}).gcms;
-    const chrom = new Chromatogram(data);
+    const chrom = fromJcamp(jcamp);
     t.is(chrom.length, 6993);
 });
diff --git a/yarn.lock b/yarn.lock
@@ -38,8 +38,8 @@ align-text@^0.1.1, align-text@^0.1.3:
     repeat-string "^1.5.2"
 
 amdefine@>=0.0.4:
-  version "1.0.0"
-  resolved "https://registry.yarnpkg.com/amdefine/-/amdefine-1.0.0.tgz#fd17474700cb5cc9c2b709f0be9d23ce3c198c33"
+  version "1.0.1"
+  resolved "https://registry.yarnpkg.com/amdefine/-/amdefine-1.0.1.tgz#4a5282ac164729e93619bcfd3ad151f817ce91f5"
 
 ansi-align@^1.1.0:
   version "1.1.0"
@@ -332,8 +332,8 @@ babel-code-frame@^6.16.0, babel-code-frame@^6.7.5:
     js-tokens "^2.0.0"
 
 babel-core@^6.0.14, babel-core@^6.13.0, babel-core@^6.14.0, babel-core@^6.18.0, babel-core@^6.3.21, babel-core@^6.8.0:
-  version "6.18.0"
-  resolved "https://registry.yarnpkg.com/babel-core/-/babel-core-6.18.0.tgz#bb5ce9bc0a956e6e94e2f12d597abb3b0b330deb"
+  version "6.18.2"
+  resolved "https://registry.yarnpkg.com/babel-core/-/babel-core-6.18.2.tgz#d8bb14dd6986fa4f3566a26ceda3964fa0e04e5b"
   dependencies:
     babel-code-frame "^6.16.0"
     babel-generator "^6.18.0"
@@ -1212,7 +1212,7 @@ binary-extensions@^1.0.0:
   version "1.7.0"
   resolved "https://registry.yarnpkg.com/binary-extensions/-/binary-extensions-1.7.0.tgz#6c1610db163abfb34edfe42fa423343a1e01185d"
 
-binary-search:
+binary-search@^1.3.2:
   version "1.3.2"
   resolved "https://registry.yarnpkg.com/binary-search/-/binary-search-1.3.2.tgz#88c9b7bd2b7221d352da78ec887f5af2549e4de2"
 
@@ -1634,10 +1634,8 @@ co@3.1.0:
   resolved "https://registry.yarnpkg.com/co/-/co-3.1.0.tgz#4ea54ea5a08938153185e15210c68d9092bc1b78"
 
 code-point-at@^1.0.0:
-  version "1.0.1"
-  resolved "https://registry.yarnpkg.com/code-point-at/-/code-point-at-1.0.1.tgz#1104cd34f9b5b45d3eba88f1babc1924e1ce35fb"
-  dependencies:
-    number-is-nan "^1.0.0"
+  version "1.1.0"
+  resolved "https://registry.yarnpkg.com/code-point-at/-/code-point-at-1.1.0.tgz#0d070b4d043a5bea33a2f1a40e2edb3d9a4ccf77"
 
 collapse-white-space@^1.0.0:
   version "1.0.2"
@@ -2305,8 +2303,8 @@ ecc-jsbn@~0.1.1:
     jsbn "~0.1.0"
 
 editions@^1.1.1:
-  version "1.3.1"
-  resolved "https://registry.yarnpkg.com/editions/-/editions-1.3.1.tgz#008425f64dc1401db45ec110e06aa602562419c0"
+  version "1.3.3"
+  resolved "https://registry.yarnpkg.com/editions/-/editions-1.3.3.tgz#0907101bdda20fac3cbe334c27cbd0688dc99a5b"
 
 ee-first@1.1.1:
   version "1.1.1"
@@ -2758,8 +2756,8 @@ fs.realpath@^1.0.0:
   resolved "https://registry.yarnpkg.com/fs.realpath/-/fs.realpath-1.0.0.tgz#1504ad2523158caa40db4a2787cb01411994ea4f"
 
 fsevents@^1.0.0:
-  version "1.0.14"
-  resolved "https://registry.yarnpkg.com/fsevents/-/fsevents-1.0.14.tgz#558e8cc38643d8ef40fe45158486d0d25758eee4"
+  version "1.0.15"
+  resolved "https://registry.yarnpkg.com/fsevents/-/fsevents-1.0.15.tgz#fa63f590f3c2ad91275e4972a6cea545fb0aae44"
   dependencies:
     nan "^2.3.0"
     node-pre-gyp "^0.6.29"
@@ -2861,8 +2859,8 @@ getpass@^0.1.1:
     assert-plus "^1.0.0"
 
 ggit@^1.11.0:
-  version "1.11.0"
-  resolved "https://registry.yarnpkg.com/ggit/-/ggit-1.11.0.tgz#2a6e32608270f31f9f1fcb57f0c3b1221ed2943c"
+  version "1.11.1"
+  resolved "https://registry.yarnpkg.com/ggit/-/ggit-1.11.1.tgz#97c0c97945a7733131093ab887f94eff870e0e96"
   dependencies:
     bluebird "3.4.1"
     chdir-promise "0.2.1"
@@ -2875,7 +2873,7 @@ ggit@^1.11.0:
     glob "6.0.1"
     lazy-ass "1.1.0"
     lodash "3.10.1"
-    moment "2.12.0"
+    moment "2.15.2"
     optimist "0.6.1"
     q "2.0.3"
     quote "0.4.0"
@@ -2928,8 +2926,8 @@ git-up@^2.0.0:
     parse-url "^1.3.0"
 
 git-url-parse@^6.0.1:
-  version "6.0.7"
-  resolved "https://registry.yarnpkg.com/git-url-parse/-/git-url-parse-6.0.7.tgz#e61dbb05ccd78921494814f5e5f0cea17275d3de"
+  version "6.1.0"
+  resolved "https://registry.yarnpkg.com/git-url-parse/-/git-url-parse-6.1.0.tgz#01a99f11ca4def4d88d9886da7f84d75d114495b"
   dependencies:
     git-up "^2.0.0"
 
@@ -3067,8 +3065,8 @@ glogg@^1.0.0:
     sparkles "^1.0.0"
 
 got@^5.0.0, got@^5.2.0:
-  version "5.7.0"
-  resolved "https://registry.yarnpkg.com/got/-/got-5.7.0.tgz#718879e60f824cc0f69721127b835379b056a3af"
+  version "5.7.1"
+  resolved "https://registry.yarnpkg.com/got/-/got-5.7.1.tgz#5f81635a61e4a6589f180569ea4e381680a51f35"
   dependencies:
     create-error-class "^3.0.1"
     duplexer2 "^0.1.4"
@@ -3087,8 +3085,8 @@ got@^5.0.0, got@^5.2.0:
     url-parse-lax "^1.0.0"
 
 graceful-fs@^4.0.0, graceful-fs@^4.1.2:
-  version "4.1.9"
-  resolved "https://registry.yarnpkg.com/graceful-fs/-/graceful-fs-4.1.9.tgz#baacba37d19d11f9d146d3578bc99958c3787e29"
+  version "4.1.10"
+  resolved "https://registry.yarnpkg.com/graceful-fs/-/graceful-fs-4.1.10.tgz#f2d720c22092f743228775c75e3612632501f131"
 
 "graceful-readlink@>= 1.0.0":
   version "1.0.1"
@@ -3222,8 +3220,8 @@ hawk@~3.1.3:
     sntp "1.x.x"
 
 highlight.js@^9.1.0:
-  version "9.7.0"
-  resolved "https://registry.yarnpkg.com/highlight.js/-/highlight.js-9.7.0.tgz#e7a926bf3079c65b2ae50314878e456a009b4aac"
+  version "9.8.0"
+  resolved "https://registry.yarnpkg.com/highlight.js/-/highlight.js-9.8.0.tgz#38eeef40cd45eaddbec8c9e5238fb7a783a3b685"
 
 hoek@2.x.x:
   version "2.16.3"
@@ -3700,7 +3698,7 @@ istanbul-lib-hook@^1.0.0-alpha.4:
   dependencies:
     append-transform "^0.3.0"
 
-istanbul-lib-instrument@^1.1.3:
+istanbul-lib-instrument@^1.2.0:
   version "1.2.0"
   resolved "https://registry.yarnpkg.com/istanbul-lib-instrument/-/istanbul-lib-instrument-1.2.0.tgz#73d5d108ab7568c373fdcb7d01c1d42d565bc8c4"
   dependencies:
@@ -3732,7 +3730,7 @@ istanbul-lib-source-maps@^1.0.2:
     rimraf "^2.4.4"
     source-map "^0.5.3"
 
-istanbul-reports@^1.0.0-alpha.8:
+istanbul-reports@^1.0.0:
   version "1.0.0"
   resolved "https://registry.yarnpkg.com/istanbul-reports/-/istanbul-reports-1.0.0.tgz#24b4eb2b1d29d50f103b369bd422f6e640aa0777"
   dependencies:
@@ -4358,9 +4356,9 @@ module-deps-sortable@4.0.6:
     through2 "^2.0.0"
     xtend "^4.0.0"
 
-moment@2.12.0:
-  version "2.12.0"
-  resolved "https://registry.yarnpkg.com/moment/-/moment-2.12.0.tgz#dc2560d19838d6c0731b1a6afa04675264d360d6"
+moment@2.15.2:
+  version "2.15.2"
+  resolved "https://registry.yarnpkg.com/moment/-/moment-2.15.2.tgz#1bfdedf6a6e345f322fe956d5df5bd08a8ce84dc"
 
 ms@^0.7.1:
   version "0.7.2"
@@ -4516,8 +4514,8 @@ number-is-nan@^1.0.0:
   resolved "https://registry.yarnpkg.com/number-is-nan/-/number-is-nan-1.0.1.tgz#097b602b53422a522c1afb8790318336941a011d"
 
 nyc@^8.3.0:
-  version "8.3.2"
-  resolved "https://registry.yarnpkg.com/nyc/-/nyc-8.3.2.tgz#a3b7a590fe1c6c4b2d0e3f24afe28b62bfafd745"
+  version "8.4.0"
+  resolved "https://registry.yarnpkg.com/nyc/-/nyc-8.4.0.tgz#660371c807caef0427fb9b0948f74180624ea6e4"
   dependencies:
     archy "^1.0.0"
     arrify "^1.0.1"
@@ -4530,10 +4528,10 @@ nyc@^8.3.0:
     glob "^7.0.6"
     istanbul-lib-coverage "^1.0.0"
     istanbul-lib-hook "^1.0.0-alpha.4"
-    istanbul-lib-instrument "^1.1.3"
+    istanbul-lib-instrument "^1.2.0"
     istanbul-lib-report "^1.0.0-alpha.3"
     istanbul-lib-source-maps "^1.0.2"
-    istanbul-reports "^1.0.0-alpha.8"
+    istanbul-reports "^1.0.0"
     md5-hex "^1.2.0"
     micromatch "^2.3.11"
     mkdirp "^0.5.0"
@@ -5289,8 +5287,8 @@ request-promise@^4.0.1:
     stealthy-require "^1.0.0"
 
 request@^2.74.0, request@^2.75.0:
-  version "2.76.0"
-  resolved "https://registry.yarnpkg.com/request/-/request-2.76.0.tgz#be44505afef70360a0436955106be3945d95560e"
+  version "2.78.0"
+  resolved "https://registry.yarnpkg.com/request/-/request-2.78.0.tgz#e1c8dec346e1c81923b24acdb337f11decabe9cc"
   dependencies:
     aws-sign2 "~0.6.0"
     aws4 "^1.2.1"
@@ -5326,8 +5324,8 @@ require-precompiled@^0.1.0:
   resolved "https://registry.yarnpkg.com/require-precompiled/-/require-precompiled-0.1.0.tgz#5a1b52eb70ebed43eb982e974c85ab59571e56fa"
 
 require-uncached@^1.0.2:
-  version "1.0.2"
-  resolved "https://registry.yarnpkg.com/require-uncached/-/require-uncached-1.0.2.tgz#67dad3b733089e77030124678a459589faf6a7ec"
+  version "1.0.3"
+  resolved "https://registry.yarnpkg.com/require-uncached/-/require-uncached-1.0.3.tgz#4e0d56d6c9662fd31e43011c4b95aa49955421d3"
   dependencies:
     caller-path "^0.1.0"
     resolve-from "^1.0.0"