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nmr-predictor

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nmr-predictor - npm Package Compare versions

Comparing version 1.0.6 to 1.0.7

20

package.json
{
"name": "nmr-predictor",
"version": "1.0.6",
"version": "1.0.7",
"description": "NMR chemical shift predictor",

@@ -17,24 +17,8 @@ "keywords": [],

"main": "./src/index.js",
"scripts": {
"eslint": "eslint src test --cache",
"eslint-fix": "npm run eslint -- --fix",
"test": "npm run test-mocha && npm run eslint",
"test-mocha": "mocha --require should --reporter mocha-better-spec-reporter --recursive",
"build": "cheminfo build"
},
"devDependencies": {
"cheminfo-tools": "^1.15.0",
"eslint": "^3.9.1",
"eslint-config-cheminfo": "^1.7.0",
"eslint-plugin-no-only-tests": "^1.1.0",
"mocha": "^3.1.2",
"mocha-better-spec-reporter": "^3.0.1",
"should": "^11.1.1"
},
"dependencies": {
"new-array": "^1.0.0",
"openchemlib-extended-minimal": "2.0.0",
"spectra-nmr-utilities": "^0.0.2",
"spectra-nmr-utilities": "^0.0.3",
"superagent": "^3.5.0"
}
}

8

src/queryByHose.js

@@ -79,6 +79,6 @@ 'use strict';

atom.j.push({
'assignment': infoCOSY[i].atom2 - 1 + '', //Put the diaID instead
'diaID': infoCOSY[i].diaID2,
'coupling': infoCOSY[i].coupling,
'multiplicity': 'd'
assignment: infoCOSY[i].atom2 - 1 + '', //Put the diaID instead
diaID: infoCOSY[i].diaID2,
coupling: infoCOSY[i].coupling,
multiplicity: 'd'
});

@@ -85,0 +85,0 @@ }

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