Panels¶
Left Panel¶
The left panel is always visible and provides the primary data import and analysis controls.
Batch Folder Import¶
The folder path field and Import XYZ Files button at the top of the left panel let you select a folder containing XYZ simulation output files. CGAspects scans the folder for:
- XYZ crystal shape files
- Size files (
size.csv) - Simulation parameters file
- Crystallization event files
- Site population and occupation files
- Structure file (lattice parameters)
Once loaded, the available analysis buttons become active based on which files were found.
Analysis Buttons¶
| Button | Enabled When | Opens |
|---|---|---|
| Calculate Aspect Ratio | XYZ files present | Aspect Ratio dialog |
| Calculate Growth Rates | Size files present | Growth Rates dialog |
| Calculate Site Analysis | Crystallization event files present | Site Analysis dialog |
Results Directory¶
The Results Directory button opens the output folder (aspects_output/ inside the data folder) in the system file manager. All CSV exports, plots, and rendered images are saved here.
Right Panel — Crystal Info¶
The right panel displays computed properties for the currently displayed crystal frame.
| Field | Value |
|---|---|
| Primary Aspect Ratio | S:M (short-to-middle dimension ratio, 0–1) |
| Secondary Aspect Ratio | M:L (middle-to-long dimension ratio, 0–1) |
| Shape | Zingg class: Block, Plate, Lath, or Needle |
| Volume | Convex hull volume in ų |
| Surface Area | Convex hull surface area in Ų |
| SA:Vol Ratio | Surface area to volume ratio in Å⁻¹ |
Values update automatically when you move between frames in a trajectory.
See Zingg Classification and Shape Metrics for the science behind these values.
Point Info Panel¶
Toggle with View → Toggle Point Info Panel or Ctrl+B.
When visible, this panel appears as a sidebar and shows:
- Hovered point data — all column values for the point under the cursor
- Selected point count — number of currently selected points
- Delete selected button — remove selected points from the visualisation
- Export selected button — save selected points to a new XYZ file
Movie Controls¶
The movie controls are shown at the bottom of the window when a multi-frame XYZ trajectory is loaded (i.e., a folder containing multiple XYZ files representing time steps).
| Control | Description |
|---|---|
| Frame slider | Drag to navigate to any frame |
| Frame spinbox | Type a frame number directly |
| Play / Pause | Animate the crystal growth trajectory |
| FPS spinbox | Set playback speed (frames per second) |
The current frame number is shown next to the slider. The Crystal Info panel updates to show properties for the displayed frame.
Status Bar¶
The status bar at the bottom of the window provides feedback on the current state:
- Status messages — Describe what the application is doing (loading, computing, ready)
- Progress bar — Shown during long-running operations (analysis, file loading)
- Warnings — Shown in yellow when data is missing or parameters are invalid