schrodinger.trajectory.trajectory_gui_dir.export_snapshot_structures module

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

Bases: QDialog

Export structures class for trajectory snapshot panel.

Variables:

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

exportButtonClicked

A pyqtSignal emitted by instances of the class.

__init__(parent: 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