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import gradio as gr
viewer_html = """
<div id="loading" style="display:flex;justify-content:center;align-items:center">
<p style="padding:0.2rem 1rem 0 0;color:#c1c1c1; font-size:1rem">loading SMILES editor</p>
<svg version="1.1" id="L4" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink" x="0px" y="0px"
viewBox="0 0 100 100" enable-background="new 0 0 0 0" xml:space="preserve" width="5rem">
<circle fill="#FF7C00" stroke="none" cx="6" cy="50" r="6">
<animate
attributeName="opacity"
dur="1s"
values="0;1;0"
repeatCount="indefinite"
begin="0.1"/>
</circle>
<circle fill="#FF7C00" stroke="none" cx="26" cy="50" r="6">
<animate
attributeName="opacity"
dur="1s"
values="0;1;0"
repeatCount="indefinite"
begin="0.2"/>
</circle>
<circle fill="#FF7C00" stroke="none" cx="46" cy="50" r="6">
<animate
attributeName="opacity"
dur="1s"
values="0;1;0"
repeatCount="indefinite"
begin="0.3"/>
</circle>
</svg>
</div>
<div id="root"></div>
"""
load_js = """
async () => {
var loadingDiv = document.getElementById('loading');
loadingDiv.style.display = 'flex';
//load css
let url = "https://huggingface.co/datasets/simonduerr/ketcher-2.7.2/raw/main/static/css/main.6a646761.css"
fetch(url)
.then(res => res.text())
.then(text => {
const style = document.createElement('style');
style.textContent = text
document.head.appendChild(style);
});
//load ketcher
url = "https://huggingface.co/datasets/simonduerr/ketcher-2.7.2/resolve/main/static/js/main.5445f351.js"
fetch(url)
.then(res => res.text())
.then(text => {
const script = document.createElement('script');
//script.type = "module"
script.src = URL.createObjectURL(new Blob([text], { type: 'application/javascript' }));
document.head.appendChild(script);
loadingDiv.style.display = 'none';
});
}
"""
# add your logic here, hidden_state contains the SMILES string returned from Editor
def run(hidden_state):
return f"{hidden_state}"
get_js = """
async () => {
return ketcher.getSmiles().then(function(smiFile){return smiFile})
}
"""
with gr.Blocks() as blocks:
gr.Markdown("""
# Gradio Molecule entry with Ketcher
""")
html = gr.HTML(viewer_html)
#do not change this part
hidden_state = gr.Textbox(visible=False)
# we need a hidden textbox that can be used to first trigger the JS callback
# and then onchange of the textbox, we can run the python function
out = gr.Textbox("", label="SMILES")
btn = gr.Button("Get SMILES")
# trigger JS callback and written to hidden textbox
btn.click(fn=None,
inputs=[],
outputs=[hidden_state],
_js=get_js)
# run python function on change of hidden textbox, add your logic to run function
hidden_state.change(fn=run, inputs=[hidden_state], outputs=[out])
# load JS on load of the page
blocks.load(None, None, None, _js=load_js)
blocks.launch()
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