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[Feature] Ketcher V3 (#427)

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Co-authored-by: Tim Lorsbach <tim@lorsba.ch>
Reviewed-on: enviPath/enviPy#427
This commit is contained in:
jebus
2026-07-17 08:16:09 +12:00
parent 3566571b42
commit 31c57299e4
22515 changed files with 1344 additions and 2191897 deletions
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32
templates/index/index.html
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@ -28,11 +28,8 @@
drawMode: false,
smiles: '',
loadExample(smilesStr, linkEl) {
if (this.drawMode && window.indexKetcher && window.indexKetcher.setMolecule) {
window.indexKetcher.setMolecule(smilesStr);
} else {
this.smiles = smilesStr;
}
this.smiles = smilesStr;
console.log(this.smiles, this.drawMode)
const original = linkEl.textContent;
linkEl.textContent = 'loaded!';
setTimeout(() => linkEl.textContent = original, 1000);
@ -41,23 +38,26 @@
const ketcher = getKetcherInstance('index-ketcher');
if (ketcher && ketcher.getSmiles) {
try {
const s = ketcher.getSmiles();
if (s && s.trim()) this.smiles = s;
ketcher.getSmiles().then((smiles) => {
if(smiles.trim()) {
this.smiles = smiles.trim()
}
});
} catch (err) {
console.error('Failed to sync from Ketcher:', err);
}
}
},
submitForm() {
async submitForm() {
let finalSmiles = '';
if (this.drawMode) {
const ketcher = getKetcherInstance('index-ketcher');
if (ketcher && ketcher.getSmiles) {
try {
finalSmiles = ketcher.getSmiles().trim();
finalSmiles = await getSmilesFromKetcher('index-ketcher')
} catch (err) {
console.error('Failed to get SMILES from Ketcher:', err);
alert('Unable to extract structure. Please try again or switch to SMILES input.');
alert('BBUnable to extract structure. Please try again or switch to SMILES input.');
return;
}
} else {
@ -198,13 +198,11 @@
x-transition:leave-end="opacity-0 scale-95"
class="w-full"
>
<iframe
id="index-ketcher"
src="{% static '/js/ketcher2/ketcher.html' %}"
width="100%"
height="400"
class="rounded-lg"
></iframe>
<div class="mb-8 w-full">
{% with iframe_id="index-ketcher" height="400" text_input_id="index-form-smiles" %}
{% include "components/ketcher.html" %}
{% endwith %}
</div>
<button
class="btn btn-lg bg-primary-950 text-primary-50 join-item mt-2 w-full"
>