nmr-predictor
Advanced tools
Comparing version 0.0.1 to 0.0.2
{ | ||
"name": "nmr-predictor", | ||
"version": "0.0.1", | ||
"version": "0.0.2", | ||
"description": "NMR chemical shift predictor", | ||
"keywords": [], | ||
"files": ["src"], | ||
"files": [ | ||
"src" | ||
], | ||
"author": "andcastillo", | ||
@@ -17,3 +19,3 @@ "repository": "cheminfo-js/nmr-predictor", | ||
"test": "mocha --require should --reporter mocha-better-spec-reporter --recursive", | ||
"build": "cheminfo build" | ||
"build": "cheminfo build --no-uglify" | ||
}, | ||
@@ -28,3 +30,3 @@ "devDependencies": { | ||
"dependencies": { | ||
"openchemlib-extended":"1.9.0", | ||
"openchemlib-extended": "1.9.0", | ||
"ml-matrix": "^1.1.2", | ||
@@ -31,0 +33,0 @@ "new-array": "^1.0.0" |
@@ -187,2 +187,3 @@ 'use strict' | ||
//Average the entries for the equivalent protons | ||
var idsKeys = Object.keys(ids); | ||
@@ -205,4 +206,2 @@ for (i = 0;i < nspins; i++) { | ||
//Average the entries for the equivalent protons | ||
return result; | ||
@@ -209,0 +208,0 @@ } |
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New author
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License Policy Violation
LicenseThis package is not allowed per your license policy. Review the package's license to ensure compliance.
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