atlas.core.gui.widgets package

Reusable Qt widgets for the ATLAS GUI.

Submodules

atlas.core.gui.widgets.aiida_suggestions module

Fetch AiiDA entity lists for schema-form dropdown suggestions.

atlas.core.gui.widgets.aiida_suggestions.fetch_aiida_suggestions() → dict[str, list[str]]

Return cached suggestions, or fetch synchronously if cache is stale.

atlas.core.gui.widgets.aiida_suggestions.fetch_aiida_suggestions_async(callback: Callable[[dict[str, list[str]]], None]) → None

Populate suggestions via callback, without blocking the UI.

If the cache is warm the callback fires immediately (synchronously). Otherwise a background thread is started; the callback fires on the main thread when the query completes.

atlas.core.gui.widgets.aiida_suggestions.invalidate_aiida_suggestions_cache() → None

Reset the cache so the next call re-queries AiiDA.

atlas.core.gui.widgets.al_monitor_panel module

atlas.core.gui.widgets.al_outputs_panel module

atlas.core.gui.widgets.boundary_panel module

atlas.core.gui.widgets.collapsible_log_panel module

Foldable log panel with a toggle bar, unread badge, and smooth animation.

class atlas.core.gui.widgets.collapsible_log_panel.CollapsibleLogPanel(*args: Any, **kwargs: Any)

Bases: QWidget

Log panel that collapses to a toggle bar with an unread-line badge.

Signals

toggledSignal(bool)

Emitted on expand/collapse with the new expanded state.

append(text: str) → None

Append text to the log viewer.

clear() → None

Clear the log viewer and reset the unread count.

eventFilter(obj, event) → bool
set_theme(fg_color: str) → None

Refresh the chevron icon for the current theme foreground colour.

toggle() → None

Toggle the expanded/collapsed state with animation.

toggled

alias of bool

unread_count_changed

alias of int

viewer() → PySide6.QtWidgets.QTextEdit

Return the internal QTextEdit.

atlas.core.gui.widgets.config_panel module

Reusable TOML configuration editor for one schema section.

ConfigPanel wraps one or more SchemaForm instances, a description viewer, a live TomlEditor, and the standard Load / Save / Validate buttons. It is locked to a single top-level schema section (e.g. database_generation) and is the building block of every workflow page’s “Config” tab.

When sub_section_tabs is provided, the single long form is split into multiple inner tabs, each rendering only the specified sub-keys of the schema section. Data collection and population transparently span all tabs so the resulting TOML is identical to the single-form case.

class atlas.core.gui.widgets.config_panel.ConfigPanel(*args: Any, **kwargs: Any)

Bases: QWidget

Editor for one section of the ATLAS configuration schema.

Parameters:

  • schema_data – The full parsed config_schema.yaml dictionary.

  • section_key – Which top-level schema section this panel edits.

  • sub_section_tabs – Optional list of (tab_label, [sub_key, …]) tuples. When given, the single form is replaced by an inner QTabWidget where each tab renders only the listed sub-keys.

  • application_font – Font passed to the embedded schema form.

  • configurations. (Supports drag-and-drop of .toml files to import)

add_action_button(button: PySide6.QtWidgets.QPushButton) → None
collect_data() → dict
current_toml() → str
dragEnterEvent(event) → None
dropEvent(event) → None
focus_field(field_key: str) → bool

Switch to the tab containing field_key and scroll/focus it.

field_key is a dotted schema path component (e.g. code_string or queue.code_string). Returns True if the field was found.

load_data(data: dict) → None
load_toml_from_dialog() → None
parsed_config() → tuple[dict | None, str | None]
populate_suggestions(suggestions: dict[str, list[str]]) → None

Forward AiiDA suggestions to every sub-form’s editable combos.

refresh_toml_preview() → None
save_to_file(filepath: str | None = None) → bool
save_to_project(label: str | None = None) → bool
property section_key: str
set_app_theme(theme_name: str) → None
set_suggestions_loading() → None

Show a loading placeholder on every sub-form’s suggestion combos.

set_theme(theme_name: str) → None
set_workflow_steps(steps: list[WorkflowStep], num_phases: int = 1, total_estimate: int | None = None) → None

Populate the workflow diagram and make it the default view.

validate_current() → None
validated

alias of bool

workflow_step_clicked

alias of str

atlas.core.gui.widgets.db_manage_panel module

Database management panel, delete and export the initial database.

class atlas.core.gui.widgets.db_manage_panel.DbManagePanel(*args: Any, **kwargs: Any)

Bases: QWidget

Delete or export the project’s initial database.

refresh() → None

atlas.core.gui.widgets.dft_outputs_panel module

atlas.core.gui.widgets.dict_widgets module

Custom widgets for dict-type schema fields (kspacing, INCAR).

class atlas.core.gui.widgets.dict_widgets.IncarWidget(*args: Any, **kwargs: Any)

Bases: QWidget

Editor for INCAR dict fields with key-value table and INCAR import.

get_value() → dict
set_value(data: dict)
class atlas.core.gui.widgets.dict_widgets.KspacingWidget(*args: Any, **kwargs: Any)

Bases: QWidget

Editor for kspacing dict: ATL_DEFAULT float + per-phase overrides.

get_value() → dict
set_value(data: dict)

atlas.core.gui.widgets.error_analysis_panel module

atlas.core.gui.widgets.periodic_table_widget module

Periodic table element picker with pill display.

class atlas.core.gui.widgets.periodic_table_widget.ElementPickerField(*args: Any, **kwargs: Any)

Bases: QWidget

Combines an element pill bar with a periodic table picker button.

Drop-in replacement for a QLineEdit that edits a comma-separated element list. Emits elements_changed whenever the selection changes.

elements() → list[str]
elements_changed

alias of list

setText(text: str) → None
set_elements(elements: list[str]) → None
text() → str
class atlas.core.gui.widgets.periodic_table_widget.PeriodicTableDialog(*args: Any, **kwargs: Any)

Bases: QDialog

Dialog showing a periodic table for multi-element selection.

selected_elements() → list[str]

atlas.core.gui.widgets.phase_card_panel module

Card-based phase editor for the Phase Diagram config section.

Instead of rendering each phase as a nested inline form, phases are displayed as compact summary cards in a flow grid. Adding or editing a phase opens a dialog with all the fields.

class atlas.core.gui.widgets.phase_card_panel.PhaseCardPanel(*args: Any, **kwargs: Any)

Bases: QWidget

Grid of phase summary cards with add / edit / remove actions.

collect_data() → dict
phase_count() → int
populate(data: dict) → None
class atlas.core.gui.widgets.phase_card_panel.PhaseEditDialog(*args: Any, **kwargs: Any)

Bases: QDialog

Modal dialog with all fields for one phase.

collected_data() → dict

atlas.core.gui.widgets.preflight_panel module

Pre-flight check panel for workflow pages.

Shows a compact list of readiness checks (AiiDA profile, required config fields, etc.) that update live as the user edits the configuration. Each check is a single row with a pass/fail/skipped icon and a description.

class atlas.core.gui.widgets.preflight_panel.Check(label: str, description: str, run: Callable[[], str | None], requires_aiida: bool = False, field_key: str = '')

Bases: object

A single pre-flight check.

description: str
field_key: str = ''
label: str
requires_aiida: bool = False
run: Callable[[], str | None]
class atlas.core.gui.widgets.preflight_panel.PreflightPanel(*args: Any, **kwargs: Any)

Bases: QFrame

Collapsible pre-flight checklist.

Parameters:

  • title – Header text (e.g. “Pre-flight checks”).

  • checks – List of Check objects. Each run callable returns None on success or an error string on failure. Checks with requires_aiida=True are skipped (shown greyed) when the first check (AiiDA profile) fails.

failing_summary() → str | None

Return a human-readable summary of failing checks, or None.

property has_errors: bool
run_checks() → list[str]

Execute all checks and update the UI. Returns error strings.

atlas.core.gui.widgets.prereq_banner module

Just-in-time prerequisite / success banners.

PrereqBanner (amber) is shown when an upstream pipeline stage hasn’t produced what the current page needs.

SuccessBanner (green) is shown after a stage completes, it offers navigation buttons to the outputs tab or the next workflow stage, and a dismiss button (x) to reclaim screen space.

class atlas.core.gui.widgets.prereq_banner.PrereqBanner(*args: Any, **kwargs: Any)

Bases: QFrame

Amber notice + action button shown above a workflow tab area.

restyle() → None
set_message(message: str) → None
class atlas.core.gui.widgets.prereq_banner.SuccessBanner(*args: Any, **kwargs: Any)

Bases: QFrame

Green banner shown after a successful run, with dismiss button.

restyle() → None
set_message(message: str) → None

atlas.core.gui.widgets.schema_form module

Schema-driven Qt form widget for the ATLAS GUI.

SchemaForm reads ATLAS’ config_schema.yaml and builds a hierarchy of QFormLayout-based widgets for one selected top-level section (database_generation, active_learning, …). It owns the section selector, the scrollable form area, and the per-field schema metadata used by the coordinator to populate the description and TOML highlight panels.

Signals

schema_loaded(sections)

Emitted after load_schema parses a YAML file successfully.

section_changed(section_key)

Emitted when the user (or code) switches the active top-level section.

data_changed()

Emitted whenever any field’s value changes, including dynamic add/remove.

field_focused(description, value_type, schema_path, schema_key,

mandatory, default_value)

Emitted when a form widget gains focus; consumers can update a description panel or highlight the corresponding TOML line.

class atlas.core.gui.widgets.schema_form.SchemaForm(*args: Any, **kwargs: Any)

Bases: QWidget

Schema-driven form builder for one TOML configuration section.

add_dynamic_item(key, name=None, data=None)
available_sections() → list[str]
clear() → None
collect_data() → dict

Walk the form and return a nested dict of current values.

current_section() → str | None
eventFilter(source, event)
field_focused

alias of str

iter_leaf_widgets() → Iterator[PySide6.QtWidgets.QWidget]

Yield every leaf input widget in the active section, in form order.

load_schema(filepath) → bool

Parse the YAML schema at filepath. Returns True on success.

populate_from_data(data: dict) → None
populate_suggestions(suggestions: dict[str, list[str]]) → None

Fill editable combo boxes tagged with a suggestions key.

suggestions maps suggestion-key names (e.g. "aiida_codes") to a list of strings. Every QComboBox whose suggestions_key property matches a key gets its items replaced while preserving the current user text.

schema_loaded

alias of list

section_changed

alias of str

set_current_section(key: str, sub_keys: list[str] | None = None) → None

Build the form for key.

If sub_keys is given, only those top-level children of the section are rendered, useful for splitting a large section across multiple tabs.

Emits section_changed and data_changed.

set_schema(schema_data: dict) → None

Set the schema dict directly (e.g. when sharing across pages).

set_suggestions_loading() → None

Show a ‘Loading…’ placeholder on suggestion combo boxes.

atlas.core.gui.widgets.setup_wizard module

GUI setup wizard, mirrors atl_init_setup in a QWizard.

class atlas.core.gui.widgets.setup_wizard.SetupStatusPanel(*args: Any, **kwargs: Any)

Bases: QGroupBox

Compact panel showing current ATLAS setup status with a re-run button.

refresh() → None
class atlas.core.gui.widgets.setup_wizard.SetupWizard(*args: Any, **kwargs: Any)

Bases: QWizard

ATLAS setup wizard, GUI equivalent of atl_init_setup.

atlas.core.gui.widgets.setup_wizard.check_setup_problems() → list[str]

Return a list of human-readable setup issues (empty = all OK).

atlas.core.gui.widgets.setup_wizard.needs_first_run_wizard() → bool

Return True if ATLAS has never been set up (no secrets.json).

atlas.core.gui.widgets.side_panel module

Blender-style switchable panel with a vertical icon strip.

SidePanel presents a narrow column of icon buttons on the left edge and a QStackedWidget on the right. Clicking a button switches the visible content pane. Each pane is registered via add_view().

class atlas.core.gui.widgets.side_panel.SidePanel(*args: Any, **kwargs: Any)

Bases: QWidget

Switchable panel with vertical icon-button strip.

add_view(icon_name: str, tooltip: str, widget: PySide6.QtWidgets.QWidget, *, visible: bool = True) → int

Register a content pane and return its index.

current_view() → int
hide_view(index: int) → None
set_current_view(index: int) → None
set_theme(theme_name: str) → None
showEvent(event) → None
show_view(index: int) → None
view_changed

alias of int

atlas.core.gui.widgets.structure_viewer module

atlas.core.gui.widgets.structures_panel module

atlas.core.gui.widgets.toml_editor module

TOML preview editor and syntax highlighter for the ATLAS GUI.

TomlHighlighter colours TOML text using one of several palettes. TomlEditor wraps a QTextEdit with the highlighter, theme switching, and a schema-path-aware line highlight helper.

class atlas.core.gui.widgets.toml_editor.TomlEditor(*args: Any, **kwargs: Any)

Bases: QWidget

Editable TOML preview with syntax highlighting and path-based line highlight.

Signals

user_edited

Emitted when the user (not programmatic code) modifies the text.

clear_highlight()
highlight_path(path)

Highlight the line whose dotted key matches path.

path is a sequence of section/key segments (as stored in the YAML schema). Missing entries are silently ignored.

plain_text()
set_text(text)

Set the editor contents without emitting user_edited.

set_theme(theme_name)

Switch the syntax highlighting theme.

class atlas.core.gui.widgets.toml_editor.TomlHighlighter(*args: Any, **kwargs: Any)

Bases: QSyntaxHighlighter

Syntax highlighter for TOML with multiple colour themes.

THEMES = {'Catppuccin Latte': {'background': None, 'comment': '#9ca0b0', 'keyword': '#8839ef', 'number': '#e64553', 'section': '#40a02b', 'string': '#d20f39'}, 'Default': {'background': None, 'comment': '#808080', 'keyword': '#0033cc', 'number': '#c500c5', 'section': '#107c10', 'string': '#A31515'}, 'Gruvbox Light': {'background': None, 'comment': '#928374', 'keyword': '#427b58', 'number': '#8f3f71', 'section': '#79740e', 'string': '#9d0006'}, 'Solarized Light': {'background': '#fdf6e3', 'comment': '#93a1a1', 'keyword': '#d33682', 'number': '#cb4b16', 'section': '#859900', 'string': '#dc322f'}}
highlightBlock(text)

Apply syntax highlighting to the given block of text.

atlas.core.gui.widgets.training_report_panel module

atlas.core.gui.widgets.validation_dialog module

Validation error dialog with clickable field links.

class atlas.core.gui.widgets.validation_dialog.ValidationDialog(*args: Any, **kwargs: Any)

Bases: QDialog

Dialog to display validation errors with clickable links to fields.

atlas.core.gui.widgets.workflow_view module

Interactive workflow diagram for ATLAS pipeline visualisation.

WorkflowView renders a top-down flowchart of pipeline steps. Each step box shows its name, an optional structure-count estimate, and is coloured by category. Clicking a step emits the step_clicked signal so the host can navigate to the relevant configuration fields.

class atlas.core.gui.widgets.workflow_view.WorkflowStep(name: str, description: str = '', estimated_count: int | None = None, is_active: bool = True, config_key: str = '', category: str = 'generation', is_filter: bool = False, group: str = '')

Bases: object

One step in the pipeline diagram.

category: str = 'generation'
config_key: str = ''
description: str = ''
estimated_count: int | None = None
group: str = ''
is_active: bool = True
is_filter: bool = False
name: str
class atlas.core.gui.widgets.workflow_view.WorkflowView(*args: Any, **kwargs: Any)

Bases: QWidget

Scrollable workflow diagram.

Wraps _WorkflowCanvas inside a QScrollArea and exposes a convenience API for setting step data and receiving click signals.

set_steps(steps: Sequence[WorkflowStep], num_phases: int = 1, total_estimate: int | None = None) → None
set_theme(theme_name: str) → None
step_clicked

alias of str

Module contents

Reusable Qt widgets for the ATLAS GUI.