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feat: add data-atom-map-no props in the circle of the svg (#170)
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,14 @@ | ||
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| 5 4 0 0 0 0 0 0 0 0999 V2000 | ||
| -1.4289 0.2062 0.0000 H 0 0 0 0 0 0 0 0 0 2 0 0 | ||
| -0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 1 0 0 | ||
| -0.0000 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 3 0 0 | ||
| 0.7145 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 4 0 0 | ||
| 1.4289 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 5 0 0 | ||
| 1 2 1 0 0 | ||
| 2 3 1 0 0 | ||
| 3 4 1 0 0 | ||
| 4 5 1 0 0 | ||
| M END |
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,27 @@ | ||
| 'use strict'; | ||
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| const { readFileSync } = require('fs'); | ||
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| const { Molecule } = require('../minimal'); | ||
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| test('molfile with atomMapNo', () => { | ||
| const molfile = readFileSync( | ||
| `${__dirname}/data/atomMapNo.mol`, | ||
| 'utf8', | ||
| ); | ||
| const molecule = Molecule.fromMolfile(molfile); | ||
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| const newMolfile = molecule.toMolfile(); | ||
| const atomMapNo = newMolfile.split(/\r?\n/).filter((line) => line.match(/ [OCH] /)) | ||
| .map(line => line.replace(/.* ([OCH]) .*(.) {2}0 {2}0$/, '$1 $2')); | ||
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Check warning on line 18 in __tests__/molfileAndAtomMapNo.test.js
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| expect(atomMapNo).toStrictEqual(['O 5', 'C 1', 'C 3', 'C 4', 'H 2']) | ||
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| const svg = molecule.toSVG(300, 200); | ||
| const mapNos = svg.split(/\r?\n/).filter((line) => line.includes('data-atom-map')).map(line => line.replace(/.*atom-map-no="(.).*/, '$1')); | ||
| expect(mapNos).toStrictEqual(["5", "1", "3", "4", "2"]) | ||
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| }) | ||
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