OCL-SwingJS inchi-to-StereoMolecule update and testing completed

[BobHanson]

OCL-SwingJS now incorporates JNI-InChI inchi 1.03 via JAR file for Java, and inchi-web.wasm/inchi-web-SwingJS.js for JavaScript (inchi 1.07, with wrapper additions to harmonize with JNI-InChI and allow export of the InChI output model (model_from_inchi) as JSON.

This allows for creation of full 3D stereochemistry in OCL. The classes added include:

chem/inchi
InChIOCL (abstract class)
InChIJNI1 (implementation class)
InChIJS (implementation class)

org/iupac
InChIStructureProvider (interface)
InchiUtils

_ES6 (resources directory)
inchi-web-SwingJS.js
inchi-web.wasm

[BobHanson]

FYI, OCL-SwingJS has been updated to InChI 1.07.2 and considerably streamlined in its InChI referencing. There is no longer any need for InChIJNA and InChIJS. Just InChIOCL, It turns out that JavaScript can access the same native library as Java does with exactly the same method calls to register the library with the specific architecture. (In JavaScript, that would be to a WASM module, actually, which itself is is architecture-dependent, but the browser takes care of all of that for us.)

Anyway, I thought you might like to know. I'm working on a demo page for OpenChemLib similar or an extension of this page, which uses the CDK for its interface to InChI and for generating 3D structures.