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:

structure.Structure

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.