After a bit more experimentation, I have something of an ugly hack that
works for a web page but won't work for a server app. The issue is mostly
persuading the script to load the WASM file RDKit_minimal.wasm that
RDKit_minimal.js needs. Greg's demo HTML files show how this can be done
in a web page, so I have left the importing of RDKit_minimal.js there, and
then used it via the window variable in the ReactJS components. I have
RDKit_minimal.js and RDKit_minimal.wasm in my public folder in the react
app tree.
So, in index.html I have the line:
<script src="./RDKit_minimal.js"></script>
in between <body></body> and <head></head>.
In my React component I have:
constructor(props) {
super(props);
this.state = {
rdkit: null,
}
}
async componentDidMount() {
let rdkit_mod = await window.initRDKitModule();
this.setState({rdkit: rdkit_mod});
console.log(this.state.rdkit.version());
}
I can then pass the rdkit instance into other components and functions
via the props as normal:
function DrawMol(props) {
if (props.rdkit) {
let mol = props.rdkit.get_mol(props.smiles);
let svg = mol.get_svg();
return (<div><img
src={`data:image/svg+xml;base64,${btoa(svg)}`} alt={''} /></div>);
} else {
return (<div>{props.smiles}</div>);
}
}
I believe that node does have a WASM loader, and if I can work out how
to use that directly, I'll post a further reply.
Hopefully that all makes sense and might be helpful to other people.
Best,
Dave
On Wed, Apr 14, 2021 at 5:10 PM David Cosgrove <davidacosgrov...@gmail.com>
wrote:
> Hi,
>
> I have compiled the latest RDKit (2021_03_1) into .js and .wasm files
> using the Dockerfile in $RDBASE/Code/MinimalLib/docker. I would like to
> use these in a reactjs app. This appears to be non-trivial and after
> several days of googling and experimentation I am no further forward. Has
> anyone had success with this that they can share?
>
> Thanks,
> Dave
>
>
> --
> David Cosgrove
> Freelance computational chemistry and chemoinformatics developer
> http://cozchemix.co.uk
>
>
--
David Cosgrove
Freelance computational chemistry and chemoinformatics developer
http://cozchemix.co.uk
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