schrodinger.trajectory.trajectory_gui_dir.frame_structure_exporter module¶
-
class
schrodinger.trajectory.trajectory_gui_dir.frame_structure_exporter.
FrameStructureExporter
(player_obj, export_mode: schrodinger.trajectory.trajectory_gui_dir.export_structure_enums.ExportMode, parent: PyQt5.QtWidgets.QWidget)¶ Bases:
object
This class provides ability to export structures in the file. Client can export trajectory structures in three ways 1. Export current frame. 2. Export current frame full system ct and all its components. 3. Export set of frames specified in the range.
-
EXPORT_TRJ_FILE_PREF
= 'TRJ_PLAYER_EXPORT_TRJ_FILE'¶
-
__init__
(player_obj, export_mode: schrodinger.trajectory.trajectory_gui_dir.export_structure_enums.ExportMode, parent: PyQt5.QtWidgets.QWidget)¶ - Parameters
player_obj (TrajectoryPlayer) – Trajectory player toolbar object.
export_mode – Indicates whether exports need to be done in
snapshot mode or player mode.
- Parameters
parent – Parent widget (used to set export structures dialog parent)
-
clearData
()¶ Clean all temporary data members.
-
allInRange
(start_frame, end_frame, step_size, atoms_asl, writer)¶ Export all structures specified in the range including start and end frame if step size is 1. Otherwise, export frames in the range based on step size, but last frame is need not to be included.
- Parameters
start_frame (int) – Starting frame in the range.
end_frame (int) – End frame in the range.
step_size (int) – Step size to be used when stepping in the range.
atoms_asl (str) – Set of atoms to be exported from a given frame.
writer (structure.StructureWriter) – Write object which writes structures in the file.
- Return type
bool
- Returns
Whether frame is exported successfully.
-
currentFrameOnly
(frame, atoms_asl, writer)¶ Export only frame number associated structure.
- Parameters
frame (int) – Frame number of structure to be exported.
atoms_asl (str) – Set of atoms to be exported from a given frame.
writer (structure.StructureWriter) – Write object which writes structures in the file.
- Return type
bool
- Returns
Whether frame is exported successfully.
-
getUpdatedFrameStructure
(frame: int)¶ - Parameters
frame – Frame number of structure to be exported.
- Returns
Update frame structure.
- Return type
-
getUpdatedCMSModelCopy
(frame)¶
-
currentFrameWithComponentStructures
(frame, writer)¶ Export current frame along with its component structures.
- Parameters
frame (int) – Frame number of structure to be exported.
writer (structure.StructureWriter) – Write object which writes structures in the file.
- Return type
bool
- Returns
Whether frame is exported successfully.
-
showExportStructuresDlg
()¶ Show export structure dialog and collect necessary input data.
-
showExportSnapshotStructuresDlg
(all_frames: list, selected_frames: list, use_trajectory_settings: bool, display_settings_manager: schrodinger.trajectory.trajectory_gui_dir.display_settings_manager.DisplaySettingsManager, cooltowarmcolor_map)¶ Show export snapshot structure dialog and collect necessary input data.
- Parameters
all_frames – List of all frames listed in the snapshot panel.
selected_frames – List of all selected frames in the snapshot
panel.
- Parameters
use_trajectory_settings – True if trajectory settings should be
used exporting a frame.
- Parameters
display_settings_manager – Valid display setting manager to apply
the display settings, otherwise None
- Parameters
cooltowarmcolor_map – Instance of cool to warm color map
object. It is used to apply color on exported frames. It will be None if cool to warm color gradient should not be applied. :type: maestro_ui.CoolToWarmColorMap
-
exportTrajectory
()¶ Export trajectory to file.
-