schrodinger.trajectory.trajectoryviewer module¶
- schrodinger.trajectory.trajectoryviewer.has_player_toolbar()¶
- Return type
bool
- Returns
True if player toolbar instance is already created.
- schrodinger.trajectory.trajectoryviewer.has_snapshot_panel()¶
- Return type
bool
- Returns
True if snapshot panel instance is already created.
- schrodinger.trajectory.trajectoryviewer.get_player_toolbar()¶
Return trajectory player toolbar or None if desmond is not available.
- schrodinger.trajectory.trajectoryviewer.include_only_entry(eid: int, unlock_locked_entries: bool)¶
Include only given entry and exclude all other entries depending on unlocked locked entries option value.
- Parameters
eid – Entry id to be included only.
unlock_locked_entries – True if locked entries should be unlocked before including specified entry.
- schrodinger.trajectory.trajectoryviewer.include_and_show_trajectory(eid: int, include_only: bool, unlock_locked_entries: bool)¶
Include only given trajectory entry and display trajectory player.
- Parameters
eid – Trajectory entry id.
include_only – Exclude all other entries and include only given trajectory entry.
unlock_locked_entries – Unlock locked entries if it is True.
Note caller must pass valid trajectory entry id present in the project.
- schrodinger.trajectory.trajectoryviewer.include_and_show_trajectory_snapshot(eid: int, include_only: bool)¶
Include only given trajectory entry and display trajectory snapshot panel.
- Parameters
eid – Trajectory entry id.
include_only – Exclude all other entries and include only given trajectory entry.
Note caller must pass valid trajectory entry id present in the project.
- schrodinger.trajectory.trajectoryviewer.setup_snapshot_panel(player_visible: bool)¶
Setup snapshot panel and show it.
- Parameters
player_visible – True if player is visible.
- schrodinger.trajectory.trajectoryviewer.setup_player_toolbar(eid, visible: bool)¶
Setup player toolbar using given trajectory entry id.
- Parameters
eid – Trajectory entry id.
Note caller must pass valid trajectory entry id present in the project.
- schrodinger.trajectory.trajectoryviewer.get_snapshot_panel()¶
Construct trajectory snapshot panel instance.
- Return type
snapshot_pane.SnapshotPanel
- Returns
Snapshot panel instance or None if Desmond product is not installed.
- schrodinger.trajectory.trajectoryviewer.stop_player_and_exit_snapshot_mode()¶
If user includes non-trajectory entry, then stop player if it is running, and exit from snapshot mode if it is active.
- schrodinger.trajectory.trajectoryviewer.get_unmodified_trajectory_entry_ct()¶
Get unmodified trajectory entry ct
- Return type
- Returns
Copy of original entry ct
- schrodinger.trajectory.trajectoryviewer.is_varying_atoms_trajectory_loaded()¶
Check if varying atoms trajectory loaded Check if we have player toolbar and player toolbar has entry trajectory and entry has variable number of atoms per frame
- Return type
bool
- Returns
True if varying_atoms_trajectory_loaded
- schrodinger.trajectory.trajectoryviewer.update_simulation_box()¶
Method to trigger update of simulation box calculation.