core/backbone |
orbitron-backbone |
Immutable scene graph (SceneGraph), periodic table, property registry, trajectories, frequency data. |
core/query |
orbitron-query |
Selection expression AST (SelectionExpr), parser (parse_expression), evaluator (evaluate_selection). |
core/selection-engine |
orbitron-selection-engine |
Cached selection programs, scoring heuristics, bounding utilities for UI highlights. |
core/render |
orbitron-render |
WGPU renderer, render data extraction (RenderSceneData), lighting presets, headless pipeline. |
core/edit |
orbitron-edit |
Editing command DSL, mutable scene wrappers, geometry helpers used by edit mode. |
core/services |
orbitron-services |
Facade providing loader/analyzer/exporter/renderer/data source abstractions. |
core/scheduler |
orbitron-scheduler |
Tokio-backed job scheduling for background work. |
core/symmetry |
orbitron-symmetry |
Niggli reduction, 14 Bravais lattice identification, molecular point group detection. |
core/inchi |
orbitron-inchi |
InChI / InChIKey generation, canonical labelling, BNS, tautomer detection. |
io/pipelines |
orbitron-io-pipelines |
File format registry and loaders (XYZ, Gaussian, NWChem, CIF, VASP, PDB, SDF, CUBE, NBO, Molcas, Molpro, DIRAC, QE). |
automation/cli |
orbitron-cli |
Command-line interface for automation, viewer launching, batch jobs. |
automation/tui |
orbitron-tui |
Terminal UI built on shared services for headless viewing and inspection. |
ui/shell |
orbitron-ui-shell |
Desktop viewer (egui + winit + WGPU), panels, event loop, edit mode, remote integration. |
extensions/rust-sdk |
orbitron-rust-sdk |
Plugin trait definitions for future Rust extensions. |
extensions/python-bridge |
orbitron-python-bridge |
PyO3 bindings exposing loader/analyzer/render hooks to Python. |
extensions (root) |
— |
Houses bridges and SDK experiments; each crate owns its own binary or library. |
tests/regression |
orbitron-regression |
Regression helpers, golden digest utilities, fixture accessors. |
Top-level test_*.rs |
Integration tests |
Direct cargo binaries for specialised parsing and rendering regression suites. |
fixtures/ |
— |
Molecular datasets used by tests and demos. |
docs/archive |
— |
Previous documentation retained for historical reference. |