Coverage and troubleshooting

Verified behavior

The tested installation is macOS GaussView 6.0.16. Unit tests cover menu hierarchy and state, ambiguity, ownership, input validation, display placement, snapshot restoration, structured logging and numerical ESP-grid analysis. Existing research workflows passed their data preflight; that validates declared data without exercising every native control.

Live checks covered:

  • Grouped geometry loading and owned-group cleanup.

  • Both sections of a linked-job scan log and their separate scan plots.

  • Native axis alignment, fitting/centering and camera rotation.

  • Selected-window placement and frame selection/playback.

  • Mapped ESP surfaces and structure/image export.

  • Shared ESP legends located by their numeric fields, including fields with a visible editing caret.

  • Vibration selection, scrolling and playback.

  • Native optimization-plot data export.

  • All ten application menu roots, Help-name normalization and disabled-parent state.

  • Settings discovery/opening and a labels toggle restored to its original state.

  • Preference category discovery, native-control inspection and closure.

Incomplete or unverified operations

Area

Current boundary

Preferences

Categories are indexed; rendered page navigation failed content-change verification. Individual fields and applying changed values remain unverified.

Specialist result dialogs

Entries are indexed and availability is checked; every internal control has not been tested.

Movie export

Native helpers exist; end-to-end export remains unverified in this revision.

Context menus

Dedicated plot helpers exist; the menu-bar catalog does not enumerate every arbitrary right-click tree.

Other installations

Other GaussView versions, themes, display scales, languages and operating systems require validation.

Common failures

Symptom

Check

Missing-file or unsupported-format error

Required data exists locally and uses a supported extension; XYZ is unsupported.

ActionUnavailable for a result

Select the intended group, inspect its Results menu and check the source calculation contains the property.

Only one geometry loads

Load intermediate geometries explicitly or request the appropriate workflow result.

Accessibility or screenshot error

Enable Accessibility and Screen Recording for the actual invoking terminal/application.

Attach fails

Exactly one copy of the selected GaussView installation must be running.

Ambiguous label or changed native control

Inspect the current dialog again; do not reuse a descriptor after changing its layout.

Preference navigation fails

The requested page’s content was not verified. Inspect it manually rather than treating the old page as the new one.

Export refuses a path

Choose a non-existing file in an existing parent directory.

Open views retain prior styling

Reuse preserves manual changes; use workflow.view(reuse_views=False) to request reconstruction.

Reuse and scientific interpretation

Reuse checks source paths, file age, mapped group order and the displayed legend. These checks do not independently prove cube identity. Density/potential pairing, electronic state, atom order, units and convergence must be checked against calculation data.

Bonds displayed by GaussView can be inferred from geometry or read from connectivity. A drawn multiple bond does not establish a calculated bond order. IRC playback is a sequence of computed structures, and its speed is not a physical reaction time.

Logs

GVU emits TIMESTAMP [LEVEL] message key=value ... records to stderr. The UTC timestamp precedes the level; logger, process ID and relevant metadata follow the message. Exceptions include ordinary Python tracebacks. Default output records essential opening, scale and failure events; workflow.view(log_level="DEBUG") adds diagnostics. It does not automatically create log or metadata sidecar files. Initial uv installation output is separate from the library’s event stream.