schrodinger.application.livedesign_ml.ldml_widgets module

class schrodinger.application.livedesign_ml.ldml_widgets.LDMLStructureSelectorModel(*args, _param_type=<object object>, **kwargs)

Bases: StructureSelectorModel

Model for LDMLStructureSelector

loaded_structures: list[Structure]

A parameter of the class.

current_sourceChanged

A pyqtSignal emitted by instances of the class.

current_sourceReplaced

A pyqtSignal emitted by instances of the class.

file_pathChanged

A pyqtSignal emitted by instances of the class.

file_pathReplaced

A pyqtSignal emitted by instances of the class.

file_pathsChanged

A pyqtSignal emitted by instances of the class.

file_pathsReplaced

A pyqtSignal emitted by instances of the class.

loaded_structuresChanged

A pyqtSignal emitted by instances of the class.

loaded_structuresReplaced

A pyqtSignal emitted by instances of the class.

source_lbl_textChanged

A pyqtSignal emitted by instances of the class.

source_lbl_textReplaced

A pyqtSignal emitted by instances of the class.

sourcesChanged

A pyqtSignal emitted by instances of the class.

sourcesReplaced

A pyqtSignal emitted by instances of the class.

class schrodinger.application.livedesign_ml.ldml_widgets.LDMLStructureSelector(parent=None)

Bases: SlimStructureSelector

A SlimStructureSelector that shows a status label at the right, indicating the number of structures loaded or the selected file.

model_class

alias of LDMLStructureSelectorModel

__init__(parent=None)

Initialize the StructureSelector.

Parameters:

  • parent (QWidget) – Parent widget.

  • sources (List(InputSource)) – Supported input sources. Default is SelectedEntries and File.

  • default_source – Default source. Default is the first source in the “sources” list.

  • file_formats (list) – Supported file formats; see fileutls.py module. E.g. file_formats=[fileutils.MAESTRO].

  • support_multiple_files (bool) – Whether or not to allow the user to select multiple files at once from the file dialog.

  • initial_dir (str) – Initial directory. Default is CWD.

  • browse_button_text (str) – Optional custom text for the file selector browse button

  • id – An identifier to remember the recently browsed directories and show the last browsed directory. Set None (default) to not remember any history.

initSetUp()

Creates widget from ui and stores it ui_widget.

Suggested subclass use: create and initialize subwidgets, and connect signals.

initLayOut()

@overrides: widgetmixins.InitMixin

initSetDefaults()

Select the default source.

writeLoadedStructuresToFile(fpath: str)

Utility function to write the currently loaded structures to a file.

Parameters:

fpath – Path to write the structures to