schrodinger.trajectory.trajectory_gui_dir.export_snapshot_structures module

class schrodinger.trajectory.trajectory_gui_dir.export_snapshot_structures.ExportStructures(parent: PyQt6.QtWidgets.QWidget)

Bases: PyQt6.QtWidgets.QDialog

Export structures class for trajectory snapshot panel.

Variables

exportButtonClicked (QtCore.pyqtSignal) – A signal emitted when clicked on ‘Export’ button.

exportButtonClicked

pyqtSignal(*types, name: str = …, revision: int = …, arguments: Sequence = …) -> PYQT_SIGNAL

types is normally a sequence of individual types. Each type is either a type object or a string that is the name of a C++ type. Alternatively each type could itself be a sequence of types each describing a different overloaded signal. name is the optional C++ name of the signal. If it is not specified then the name of the class attribute that is bound to the signal is used. revision is the optional revision of the signal that is exported to QML. If it is not specified then 0 is used. arguments is the optional sequence of the names of the signal’s arguments.

__init__(parent: PyQt6.QtWidgets.QWidget)

Parameters

parent – Parent widget.

updateFileDependentOptions()

Update File radio option dependent options.

browse()

Slot triggered when ‘Browse…’ button is clicked on

showDlg(all_frames: list, selected_frames: list)

Show ‘Export Structures’ dialog with given information

updateFramesOption()

Update frame options according to selected frames.

updateDlg(all_frames: list, selected_frames: list, has_ws_atoms: bool)

Initialze ‘Export Structures’ dialog with given information

Parameters

has_ws_atoms (bool) – True if workspace has atoms.

saveOptions()

Save current option values

isValidASL()

Return True if asl in the text box is valid.

exportClicked()

Accept and emit exportButtonClicked signal when ‘Export’ button is clicked

cancelClicked()

Restore saved option values

property frames_list

Returns

Return frames list based on option selected by user.

Return type

list

property export_frame_option

Returns

Return frame option

Return type

enum(ExportFrameOption)

property export_to_option

Returns

Return export option

Return type

enum(ExportOption)

property export_file_path

If file path does not contain extension, it also adds default .mae extension.

Return type

str

Returns

Return file path to be used for export.

property export_asl

Return type

str

Returns

Return asl of atoms to be exported.

updateEntryCountLabels()

Updates entry count labels according to current values

updateExportButton()

Enable/disable ‘Export’ button based on option values

help()

Shows ‘Export Structures’ dialog help