Visualization

tricor’s visualisers come in two complementary flavours:

• Jupyter widgets (plot_g3, plot_g3_compare, plot_g2, plot_g2_compare, view_structure) render directly in a notebook with live sliders, checkboxes, and species-pair dropdowns.

• Self-contained HTML exporters (export_trajectory_html, export_g3_html, export_g2_html, export_g2_compare_html, export_overview_html) bake a single structure, trajectory, or group of structures into one HTML file that can be opened in any browser or embedded in Sphinx docs via <iframe>. No server, no build step. The pages load Three.js from a CDN at view time.

A static PNG / MP4 / GIF exporter (plot_structure) and the matplotlib loss-history plot (plot_shell_relax) are also documented below.

• 3D Structure Viewer
• Rotating Movie
• Trajectory Viewer
• Multi-Cell Overview
• Relaxation History
• g(r) Pair Distribution Viewer
• g3 Explorer
• g3 Comparison
• Static g3 Viewer

At a glance

Method	Output	Purpose
cell.view_structure()	Jupyter widget	3D WebGL atom viewer. Polyhedra (triangles / tetrahedra / octahedra / cuboctahedra) drawn by default for recognised materials, with live sliders for radial + angular tolerance; bonds optional; perspective / orthographic toggle.
cell.plot_structure(output=...)	MP4 / GIF / PNG	Rotating movie or static still for publication figures.
cell.export_trajectory_html(path)	HTML file	Play back the shell-relaxation trajectory in 3D, colour-coded by per-atom spring energy; supports single- or multi-group polyhedra overlay (e.g. sp² triangles + sp³ tetrahedra in the same carbon cell).
tricor.export_overview_html(path, cells)	HTML file	Multiple structures rendered side-by-side with synchronised rotation; same polyhedra_groups= support as the trajectory exporter.
cell.plot_shell_relax()	matplotlib figure	Loss-history plot from the last generate() or shell_relax() call.
cell.plot_g2()	Jupyter widget (iframe)	Single-cell g(r) viewer with species-pair dropdown + overlay-all-pairs mode.
cell.export_g2_html(path)	HTML file	Standalone g(r) viewer with species-pair dropdown + overlay-all-pairs.
tricor.plot_g2_compare(cells)	Jupyter widget (iframe)	Overlaid g(r) from multiple supercells, stacked with inline per-series labels.
tricor.export_g2_compare_html(cells, path)	HTML file	Standalone version of the compare viewer for docs embedding.
cell.plot_g3()	Jupyter widget	Browse the measured g3 as a 2D heatmap with a radial profile.
cell.plot_g3_compare()	Jupyter widget	Side-by-side comparison of the supercell against a target.
cell.export_g3_html(path)	HTML file	RdBu heatmap + pair profile g(r) of the measured g3 (single triplet or all-triplets grid).