schrodinger.trajectory.trajectory_gui_dir.export_structures module¶
- class schrodinger.trajectory.trajectory_gui_dir.export_structures.ExportStructures(parent: PyQt6.QtWidgets.QWidget)¶
Bases:
PyQt6.QtWidgets.QDialog
Export structures class for trajectory viewer
- 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.
- updateMultiStructureOptions()¶
Update options in the dialog. If user selects cms file, we should not allow user to export more than one structure, so disable all components related to multiple structures.
- browse()¶
Slot triggered when ‘Browse…’ button is clicked on
- splitByComponentChanged(checked)¶
Slot triggered when ‘Split by component’ is toggled
- updateFramesStackedWidget(button, checked)¶
Update the stacked widget according to the frames option selected.
- updateSpecifiedASLButton()¶
Update specified asl button when current frame only is checked and split by component checked.
- showDlg(start_frame, end_frame, step_size, total_frame, comp_cts_total)¶
Show ‘Export Structures’ dialog with given information
- Parameters
start_frame (int) – Start frame
end_frame (int) – End frame
step_size (int) – Step size
total_frame (int) – Total frames
comp_cts_total (int) – Number of component cts.
- initDlg(start_frame, end_frame, step_size, total_frame, comp_cts_total, has_ws_atoms)¶
Initialze ‘Export Structures’ dialog with given information
- Parameters
start_frame (int) – Start frame
end_frame (int) – End frame
step_size (int) – Step size
total_frame (int) – Total frames
comp_cts_total (int) – Number of component cts.
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 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.
- property start¶
Return ‘Start’ value
- property end¶
Return ‘End’ value
- property frame_count¶
Return frame count
- updateEntryCountLabels()¶
Updates entry count labels according to current values
- isValidStart(start=None, end=None)¶
Whether start is valid
- Parameters
start – If None then current start will be taken.
end – If None then current end will be taken.
- Return type
bool
- isValidEnd(start=None, end=None)¶
Whether end is valid
- Parameters
start – If None then current start will be taken.
end – If None then current end will be taken.
- Return type
bool
- limitRangeToggled(checked)¶
Triggered when ‘Limit range’ toggled
- resetRange()¶
Resets ‘Start’ & ‘End’
- setStartAndEnd(start, end)¶
Set ‘Start’ & ‘End’ with given values, update entry count labels, reset button, and style.
- setStartAndEndEnabled(enable)¶
Enable/disable ‘Start’ & ‘End’
- startChanged()¶
Triggered when ‘Start’ changes
- endChanged()¶
Triggered when ‘End’ changes
- handleRangeChange()¶
When ‘Start’ or ‘End’ modified, then show reset button, update entry count labels and range style
- updateRangeStyle()¶
Updates ‘Start’ & ‘End’ line edit style based on the values
- setWidgetStylePropertyValue(wid, prop, value)¶
Sets property value to the widget and updates widget’s style
- Parameters
wid ('QtWidgets.QWidget') – Widget for which the property value to be set
prop (str) – Property name for which the value to be set
value (str) – Value to be set to the given property
- updateExportButton()¶
Enable/disable ‘Export’ button based on option values
- help()¶
Shows ‘Export Structures’ dialog help