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() → 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: 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: 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: 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: 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: 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: QWidget)

Bases: BaseWidget

Class implementing Find Tool Bar widget.

ui_module = <module 'schrodinger.maestro_utils.find_tool_bar.find_tool_bar_ui' from '/scr/buildbot/builds/core-suite-build/core-suite-build/build/internal/lib/python3.11/site-packages/schrodinger/maestro_utils/find_tool_bar/find_tool_bar_ui.py'>

__init__(parent: QWidget)

Parameters:

parent – is parent widget.

buildResidueTypeCombo()

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

populateResidueTypeCombo(residues_list: Set[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.