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mf-generator

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mf-generator - npm Package Compare versions

Comparing version 1.3.8 to 1.3.9

4

package.json
{
"name": "mf-generator",
"version": "1.3.8",
"version": "1.3.9",
"description": "",

@@ -28,3 +28,3 @@ "main": "src/index.js",

},
"gitHead": "b044512a459c82c7bb816c52d0e90d48b8ffeae3"
"gitHead": "095f36ed651b5cbc026f1169ebaf4f146d6bbc29"
}

@@ -156,5 +156,29 @@ 'use strict';

let result = generateMFs(mfsArray, { canonizeMF: true })[0];
expect(JSON.stringify(result)).toBe(
'{"charge":0,"em":96,"mw":96.08588717388199,"ionization":{"mf":"","em":0,"charge":0},"unsaturation":9,"atoms":{"C":8},"ms":{"ionization":"","em":0,"charge":0},"parts":["C",null,"C5(C)2"],"mf":"C8"}',
);
expect(result).toMatchInlineSnapshot(`
Object {
"atoms": Object {
"C": 8,
},
"charge": 0,
"em": 96,
"ionization": Object {
"charge": 0,
"em": 0,
"mf": "",
},
"mf": "C8",
"ms": Object {
"charge": 0,
"em": 0,
"ionization": "",
},
"mw": 96.08588717388199,
"parts": Array [
"C",
,
"C5(C)2",
],
"unsaturation": 9,
}
`);
});

@@ -161,0 +185,0 @@

@@ -241,6 +241,2 @@ 'use strict';

let match = matcher(result, filter);
if (!match) continue;
result.ms = match.ms;
result.ionization = match.ionization;
result.parts = [];

@@ -261,10 +257,18 @@ result.mf = '';

}
if (comments.length > 0) {
result.comment = comments.join(' ');
}
let match = matcher(result, filter);
if (!match) continue;
result.ms = match.ms;
result.ionization = match.ionization;
if (canonizeMF) {
result.mf = new MF(result.mf).toMF();
}
if (comments.length > 0) {
result.comment = comments.join(' ');
}
results.push(result);
}
}
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