mf-parser - npm Package Compare versions

Comparing version 0.12.0 to 0.13.0

package.json

 {
   "name": "mf-parser",
-  "version": "0.12.0",
+  "version": "0.13.0",
   "description": "",
@@ -27,4 +27,3 @@ "main": "src/index.js",
     "jest-matcher-deep-close-to": "^1.3.0"
-  },
-  "gitHead": "aa2e6571c5f7121dda616b7d6920b7a653a8f9c7"
+  }
 }

src/__tests__/getIsotopesInfo.test.js

@@ -12,8 +12,10 @@ 'use strict';
     { x: 12, y: 0.9893 },
-    { x: 13.00335483507, y: 0.0107 }
+    { x: 13.00335483507, y: 0.0107 },
   ]);
-  expect(info.isotopes[1].distribution).toStrictEqual([{ x: 13.00335483507, y: 1 }]);
+  expect(info.isotopes[1].distribution).toStrictEqual([
+    { x: 13.00335483507, y: 1 },
+  ]);
   expect(info.isotopes[2].distribution).toStrictEqual([
     { x: 12, y: 0.5 },
-    { x: 13.00335483507, y: 0.5 }
+    { x: 13.00335483507, y: 0.5 },
   ]);
@@ -20,0 +22,0 @@ });

src/__tests__/MF.test.js

@@ -186,3 +186,3 @@ 'use strict';
 
-test('test unsaturation with charges', () => {
+test('unsaturation with charges', () => {
   expect(new MF('CH4').getInfo().unsaturation).toBe(0);
@@ -226,3 +226,3 @@ expect(new MF('C10H22O').getInfo().unsaturation).toBe(0);
 
-test('MF of DNA HODampDtmpDcmpDgmpH  ', () => {
+test('MF of DNA HODampDtmpDcmpDgmpH', () => {
   let mf = new MF('HODampDtmpDgmpDcmpH');
@@ -240,3 +240,3 @@ let info = mf.getInfo();
 
-test('MF of RNA HOAmpUmpH  ', () => {
+test('MF of RNA HOAmpUmpH', () => {
   let mf = new MF('HOAmpUmpH');
@@ -243,0 +243,0 @@ let info = mf.getInfo();

src/__tests__/parse.test.js

@@ -6,4 +6,10 @@ 'use strict';
 let tests = {
-  C10: [{ kind: 'atom', value: 'C' }, { kind: 'multiplier', value: 10 }],
-  'C-1': [{ kind: 'atom', value: 'C' }, { kind: 'multiplier', value: -1 }],
+  C10: [
+    { kind: 'atom', value: 'C' },
+    { kind: 'multiplier', value: 10 },
+  ],
+  'C-1': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'multiplier', value: -1 },
+  ],
   'C1-10': [
@@ -13,7 +19,16 @@ { kind: 'atom', value: 'C' },
   ],
-  '2H': [{ kind: 'preMultiplier', value: 2 }, { kind: 'atom', value: 'H' }],
+  '2H': [
+    { kind: 'preMultiplier', value: 2 },
+    { kind: 'atom', value: 'H' },
+  ],
   '[13C]': [{ kind: 'isotope', value: { atom: 'C', isotope: 13 } }],
   '[2H]': [{ kind: 'isotope', value: { atom: 'H', isotope: 2 } }],
-  'C+': [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: 1 }],
-  'C-': [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: -1 }],
+  'C+': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'charge', value: 1 },
+  ],
+  'C-': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'charge', value: -1 },
+  ],
   'C-H': [
@@ -24,4 +39,10 @@ { kind: 'atom', value: 'C' },
   ],
-  'C++': [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: 2 }],
-  'C--': [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: -2 }],
+  'C++': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'charge', value: 2 },
+  ],
+  'C--': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'charge', value: -2 },
+  ],
   'C2+': [
@@ -32,8 +53,26 @@ { kind: 'atom', value: 'C' },
   ],
-  'C(2+)': [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: 2 }],
-  'C(++)': [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: 2 }],
-  'C(+2)': [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: 2 }],
-  'C(2-)': [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: -2 }],
-  'C(-2)': [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: -2 }],
-  'C(--)': [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: -2 }],
+  'C(2+)': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'charge', value: 2 },
+  ],
+  'C(++)': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'charge', value: 2 },
+  ],
+  'C(+2)': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'charge', value: 2 },
+  ],
+  'C(2-)': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'charge', value: -2 },
+  ],
+  'C(-2)': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'charge', value: -2 },
+  ],
+  'C(--)': [
+    { kind: 'atom', value: 'C' },
+    { kind: 'charge', value: -2 },
+  ],
   '(H+)': [
@@ -45,3 +84,6 @@ { kind: 'openingParenthesis', value: '(' },
   ],
-  C$ABC: [{ kind: 'atom', value: 'C' }, { kind: 'comment', value: 'ABC' }],
+  C$ABC: [
+    { kind: 'atom', value: 'C' },
+    { kind: 'comment', value: 'ABC' },
+  ],
   'C(-1)(-3)': [
@@ -168,3 +210,3 @@ { kind: 'atom', value: 'C' },
 
-test.each(Object.keys(tests))('parse molecular formula %s', function (key) {
+test.each(Object.keys(tests))('parse molecular formula %s', function(key) {
   let parsed = parse(key);
@@ -174,3 +216,3 @@ expect(parsed).toMatchObject(tests[key]);
 
-test('not same opening and closing parenthesis', function () {
+test('not same opening and closing parenthesis', function() {
   expect(() => {
@@ -177,0 +219,0 @@ parse('C(');

src/util/__tests__/formatCharge.test.js

@@ -5,3 +5,3 @@ 'use strict';
 
-test('formatCharge', function () {
+test('formatCharge', function() {
   expect(formatCharge(-2)).toBe('-2');
@@ -8,0 +8,0 @@ expect(formatCharge(-1)).toBe('-1');

src/util/__tests__/parseCharge.test.js

@@ -5,3 +5,3 @@ 'use strict';
 
-test('getCharge', function () {
+test('getCharge', function() {
   expect(getCharge('---')).toBe(-3);
@@ -8,0 +8,0 @@ expect(getCharge('+++')).toBe(3);

src/util/__tests__/toDisplay.test.js

@@ -6,9 +6,21 @@ 'use strict';
     mf: 'C10',
-    parsed: [{ kind: 'atom', value: 'C' }, { kind: 'multiplier', value: 10 }],
-    result: [{ kind: 'text', value: 'C' }, { kind: 'subscript', value: '10' }],
+    parsed: [
+      { kind: 'atom', value: 'C' },
+      { kind: 'multiplier', value: 10 },
+    ],
+    result: [
+      { kind: 'text', value: 'C' },
+      { kind: 'subscript', value: '10' },
+    ],
   },
   {
     mf: 'C-1',
-    parsed: [{ kind: 'atom', value: 'C' }, { kind: 'multiplier', value: -1 }],
-    result: [{ kind: 'text', value: 'C' }, { kind: 'subscript', value: '-1' }],
+    parsed: [
+      { kind: 'atom', value: 'C' },
+      { kind: 'multiplier', value: -1 },
+    ],
+    result: [
+      { kind: 'text', value: 'C' },
+      { kind: 'subscript', value: '-1' },
+    ],
   },
@@ -28,3 +40,6 @@ {
     mf: '2H',
-    parsed: [{ kind: 'preMultiplier', value: 2 }, { kind: 'atom', value: 'H' }],
+    parsed: [
+      { kind: 'preMultiplier', value: 2 },
+      { kind: 'atom', value: 'H' },
+    ],
     result: [{ kind: 'text', value: '2H' }],
@@ -35,7 +50,13 @@ },
     parsed: [{ kind: 'isotope', value: { atom: 'C', isotope: 13 } }],
-    result: [{ kind: 'superscript', value: 13 }, { kind: 'text', value: 'C' }],
+    result: [
+      { kind: 'superscript', value: 13 },
+      { kind: 'text', value: 'C' },
+    ],
   },
   {
     mf: 'C++',
-    parsed: [{ kind: 'atom', value: 'C' }, { kind: 'charge', value: 2 }],
+    parsed: [
+      { kind: 'atom', value: 'C' },
+      { kind: 'charge', value: 2 },
+    ],
     result: [
@@ -94,5 +115,5 @@ { kind: 'text', value: 'C' },
 
-test.each(tests)('toDisplay', function (aTest) {
+test.each(tests)('toDisplay', function(aTest) {
   let display = toDisplay(aTest.parsed);
   expect(display).toMatchObject(aTest.result);
 });

src/util/__tests__/toParts.test.js

@@ -12,3 +12,3 @@ 'use strict';
     mf: '2C(C(C2)2)3',
-    result: [[{ kind: 'atom', value: 'C', multiplier: 32 }]]
+    result: [[{ kind: 'atom', value: 'C', multiplier: 32 }]],
   },
@@ -20,4 +20,4 @@ {
       [{ kind: 'atom', value: 'C', multiplier: 2 }],
-      [{ kind: 'atom', value: 'C', multiplier: 4 }]
-    ]
+      [{ kind: 'atom', value: 'C', multiplier: 4 }],
+    ],
   },
@@ -30,9 +30,9 @@ {
         { kind: 'atom', value: 'H', multiplier: 15 },
-        { kind: 'atom', value: 'N', multiplier: 1 }
+        { kind: 'atom', value: 'N', multiplier: 1 },
       ],
       [
         { kind: 'atom', value: 'H', multiplier: 1 },
-        { kind: 'atom', value: 'Cl', multiplier: 1 }
-      ]
-    ]
+        { kind: 'atom', value: 'Cl', multiplier: 1 },
+      ],
+    ],
   },
@@ -44,10 +44,12 @@ {
         { kind: 'atom', value: 'C', multiplier: 3 },
-        { kind: 'isotope', value: { atom: 'C', isotope: 13 }, multiplier: 6 }
-      ]
-    ]
+        { kind: 'isotope', value: { atom: 'C', isotope: 13 }, multiplier: 6 },
+      ],
+    ],
   },
   {
     mf: 'D',
-    result: [[{ kind: 'isotope', value: { atom: 'H', isotope: 2 }, multiplier: 1 }]]
-  }
+    result: [
+      [{ kind: 'isotope', value: { atom: 'H', isotope: 2 }, multiplier: 1 }],
+    ],
+  },
 ];
@@ -57,3 +59,3 @@
 
-test.each(tests)('toParts %p', function (aTest) {
+test.each(tests)('toParts %p', function(aTest) {
   let parsed = parse(aTest.mf);
@@ -60,0 +62,0 @@ let parts = toParts(parsed);

No alert changes

Improved metrics

Total package byte prevSize

62497

4.23%

Number of package files

36

5.88%

Lines of code

2055

7.7%

No dependency changes