schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget module¶

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.get_find_toolbar()¶

Return the Find Toolbar widget.

Return type: FindToolBar

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.set_find_toolbar_visible(visible: bool)¶

Show/Hide the Find Toolbar widget.

Parameters: visible – True to show the widget, False to hide it.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.is_find_toolbar_visible() → bool¶: Return True if the Find Toolbar widget is visible.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.set_find_toolbar_enabled(enable: bool)¶

Enable/Disable the Find Toolbar widget if created.

Parameters: enable – True to enable the widget, False to disable it.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.get_maestro_find_toolbar_layout() → PyQt6.QtWidgets.QHBoxLayout¶: Returns the layout of the Find Toolbar widget.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.generate_residue_number_asl(residue_query: str) → str¶

Converts a residue query in the form ‘Chain:Resnum:Inscode’ into and ASL expression

Parameters: residue_query – Residue query in the form ‘Chain:Resnum:Inscode’
Returns: generated asl for given residue_query

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.get_workspacehub_connection_requests(workspace_hub: schrodinger.ui._maestro_ui.WorkspaceHub)¶

Return list of connection requests for workspace hub.

Parameters: workspace_hub – is the workspace hub instance.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.connect_to_workspacehub()¶: Set up connections for Find Toolbar widget. Note: The connection states do not change and this toolbar is not used as a component by multiple groups.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.disconnect_from_workspacehub()¶: Disconnect connections for Find Toolbar widget.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.get_all_residues()¶: Return all residues in the current workspace structure.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.get_asl_from_selection_picking_dialog()¶: Return ASL from the picking dialog.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.get_smarts_from_ws_selection()¶: Return smarts from the workspace selection.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.set_parent_stylesheet(widget: PyQt6.QtWidgets.QWidget, stylesheet: str)¶

Set stylesheet of parent widget.

Parameters

widget – is the widget whose parent’s stylesheet has to be set.
stylesheet – is the stylesheet to be set.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.is_workspace_non_empty() → bool¶: Return True if the workspace is empty.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.get_start_index_for_entries(workspace_st: schrodinger.structure._structure.Structure) → dict¶

Returns a dictionary containing start index for each entry in the workspace.

Parameters: workspace_st – is the workspace structure.

schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.search_by_sequence(pattern: str) → List[str]¶

Generates a List of ASLs for the given pattern. Each item in the list is asl corresponding to a residue in the pattern.

Parameters: pattern – is the pattern to search for.
Return result: is list of list of of atom indicies. Each list of atom indicies corresponds to a match in the sequence.

class schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.FindToolBarSketcherDialog(title, parent=None)¶

Bases: schrodinger.ui.sketcher_smarts_dialog.SketcherSMARTSDialog

A custom Sketcher dialog to generate and search SMARTS query.

This class supports the same functionality as SketcherSMARTSDialog class, with additional support for custom buttons (Load Entry and Get Selection).

__init__(title, parent=None)¶

Parameters

title – is the title of the dialog.
parent – is the parent widget.

class schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.SeparatorItemDelegate¶

Bases: PyQt6.QtWidgets.QStyledItemDelegate

Class to add customized separator in QComboBox. We can customize the separator height and color. Also it supports consistancy across platforms.

sizeHint(option, index)¶: Return size hint for item index. if index is separator, then return separator height. else return size hint of super class. @param option: is the option object. @param index: is the item index. @return: size hint for item index.

paint(painter, option, index)¶: Paint item for given index. if index is separator, then paint separator. else paint index of super class. @param painter: is the painter object. @param option: is the option object. @param index: is the item index.

class schrodinger.maestro_utils.find_tool_bar.find_tool_bar_widget.FindToolBar(parent: PyQt6.QtWidgets.QWidget)¶

Bases: schrodinger.ui.qt.basewidgets.BaseWidget

Class implementing Find Tool Bar widget.

ui_module = <module 'schrodinger.maestro_utils.find_tool_bar.find_tool_bar_ui' from '/scr/buildbot/savedbuilds/2024-3/NB/build-133/internal/lib/python3.11/site-packages/schrodinger/maestro_utils/find_tool_bar/find_tool_bar_ui.py'>¶

__init__(parent: PyQt6.QtWidgets.QWidget)¶

Parameters: parent – is parent widget.

buildResidueTypeCombo()¶: Build residue type combo box with residue types in the current workspace structure.

populateResidueTypeCombo(residues_list: Set[schrodinger.ui._maestro_ui.WHResidue])¶

Populates residue type combo box with residue types in the current workspace structure.

Parameters: residues_list – set of residues in the current workspace structure.

reload()¶: Reload the widget with current workspace and model data.

updateToolbarFromModelOptions()¶: Restore toolbar’s ui from the maestro’s MM_MCSFIND model container.