xtalforge

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View data ​

xtalforge-view has no windowing dependency: a viewer consumes SceneData.

rust
use xtalforge::view::{DrawStyle, ViewSettings, build_scene, build_mesh, write_stl};

let settings = ViewSettings { style: DrawStyle::SpaceFill, ..Default::default() };
let scene = build_scene(&structure, &settings)?;
let stl = write_stl(&build_mesh(&scene), "structure");

Settings ​

ViewSettings { style, atom_scale, bond_radius, show_cell, show_axes, background, colormap, hide_hydrogens } with sanitize. DrawStyle is BallStick, SpaceFill, Wireframe or Sticks.

Colormaps ​

Colormap::{Viridis, Plasma, Inferno, Magma, CoolWarm, Grayscale} samples a 0-1 value into 0-255 RGB.

Scene ​

scene_summary returns atom, bond and cell-edge counts plus the element list and radii for the CLI, Python and WASM. scene_data returns the full geometry (every atom position, radius and colour, every bond endpoint, and the 12 cell-edge segments) for a viewer; the docs playground uses it to draw the same frame in the browser.

mesh_stl returns the full ASCII STL string.

SceneData { atoms, bonds, cell_edges, settings }: SceneAtom carries element, Cartesian position, display radius, colour, index and a hidden flag; SceneBond carries endpoints, radius, colour and order; cell edges are 12 Cartesian segments.

STL ​

build_mesh turns visible atom octahedra and bond prisms into triangles and write_stl writes ASCII STL.

CLI ​

bash
xtalforge mesh structure.cif --style space-fill --out structure.stl

--style accepts ball-stick, space-fill, wireframe or sticks; --scale multiplies the atom radii. Without --out the ASCII STL goes to standard output.

--scene switches the output to the full scene JSON (atoms, bonds, cell edges and the sanitized settings), which is the same geometry the Python scene_data and the WASM scene_data return.