PoreGCN / visualize.py

Commit History

visualize.py: Fast/Full XAI toggle + skip +0.00 cavity labels + About Ensembles and XAI explainer
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visualize.py: legend matches viewer (cornflower-blue metals + cavity attribution chips); slim footer with email
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visualize.py: smaller cavity beads + per-bead attribution labels + wrap atoms to [0,1) + clip mesh to cell
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visualize.py: revert axis tip labels to crystallographic a/b/c
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visualize.py: manual white wireframe + xyz labels; one example per ensemble; About Ensembles tab
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visualize.py: opaque mesh (0.55) + opaque beads + white wireframe + xyz axis labels
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fix: align void mesh with 3Dmol standard CIF frame; switch viewer to black bg
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visualize.py: harden void mesh (per-axis grid clamp, vertex cap, full failure fallback to atoms+beads)
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visualize.py: Mercury-style void isosurface (Path D, contact-surface mesh + attribution glyphs)
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visualize.py: cavity-scale pore spheres (Lisensky and Yaghi 2022 idiom)
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Pore markers: fixed 0.6A radius (color carries signal, not size)
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Polyhedra-style aesthetic: indigo metal SBUs
cd8db27
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Hover shows attribution + add CSV export helper
70ee8c8
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Add 3Dmol hover tooltip + element legend
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Add stick bonds via 3Dmol auto-bond detection
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Use Jmol colorscheme (bwr gradient name was invalid in 3Dmol.js)
4db88b7
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Fix 3D viewer: render all atoms as spheres (sticks need bonds CIF lacks)
f8450ca
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Initial PoreGCN web tool deployment
45a751d
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