JavaScript port of the OpenChemLib Java library.
npm install openchemlib
This library is available in three different builds: minimal
, core
and full
.
Each larger build contains all functionalities from the smaller ones.
The core
build is the one that you get when you require('openchemlib')
. It
contains all functionalities that can be used in Node.js.
The minimal
(require('openchemlib/minimal')
) build is a smaller one
(~ half the size of core
) that is meant to be used in a browser application
if bundle size matters and prediction functionalities are not needed.
The full
build (require('openchemlib/full')
) build is the largest build.
It contains a structure viewer and a structure editor for browser applications.
To build this project, you need :
npm install
Copy config.default.json
to config.json
and put the path to the GWT classes on your computer.
If you want to update the java code from openchemlib, provide the path to the openchemlib source.
To run one of the scripts, use npm run <scriptName>
.
To pass an options, use npm run <scriptName> -- --option
.
Options:
Execute the GWT compiler.
Transform the GWT compiled files to JavaScript modules.
Compile and export.
Copy the required java files from the openchemlib project.