Trajectory

Trajectory(
    self,
    universe,
    name='NewUniverseObject',
    world_scale=0.01,
    create_object=True,
)

Attributes

Name	Description
uframe	Get the current frame number of the linked Universe.trajectory.

Methods

Name	Description
add_selection	Adds a new selection with the given name, selection string and selection parameters.
add_selection_from_atomgroup	Create a Selection object from an AtomGroup
add_style	Add a visual style to the trajectory.
adjust_periodic_positions	Returns the input pos2 with a periodic correction potentially applied
get_view	Get the 3D bounding box of a selection within the trajectory
position_cache_mean	Return the mean position from the currently cached positions
remove_selection	Removes the selection with the given name
reset_playback	Set the playback settings to their default values
set_frame	Update the positions, selections and calculations for this trajectory, based on
update_position_cache	Update the currently cached positions, based on the new frame

add_selection

Trajectory.add_selection(name, selection_str, updating=True, periodic=True)

Adds a new selection with the given name, selection string and selection parameters.

add_selection_from_atomgroup

Trajectory.add_selection_from_atomgroup(atomgroup, name='NewSelection')

Create a Selection object from an AtomGroup

add_style

Trajectory.add_style(
    style='spheres',
    color='common',
    selection=None,
    material=None,
    name=None,
)

Add a visual style to the trajectory.

Parameters

Name	Type	Description	Default
style	bpy.types.GeometryNodeTree | str	The style to apply to the trajectory. Can be a GeometryNodeTree or a string identifying a predefined style (e.g., “spheres”, “sticks”, “ball_stick”). Default is “spheres”.	'spheres'
color	str | None	The coloring scheme to apply. Can be “common” (element-based coloring), “chain”, “residue”, or other supported schemes. If None, no coloring is applied. Default is “common”.	'common'
selection	str | AtomGroup | None	Apply the style only to atoms matching this selection. Can be: - A string referring to an existing boolean attribute on the trajectory - A AtomGroup object defining a selection criteria - None to apply to all atoms (default)	None
material	bpy.types.Material | str | None	The material to apply to the styled atoms. Can be a Blender Material object, a string with a material name, or None to use default materials. Default is None.	None
name	str | None	The label for this style	None

Returns

Name	Type	Description
	Trajectory	Returns self for method chaining.

Raises

Name	Type	Description
	ValueError	If an unsupported style string is passed

Notes

If a selection is provided, it will be evaluated and stored as a new named attribute on the trajectory with an automatically generated name (sel_N).

adjust_periodic_positions

Trajectory.adjust_periodic_positions(pos1, pos2)

Returns the input pos2 with a periodic correction potentially applied

get_view

Trajectory.get_view(selection=None, frame=None)

Get the 3D bounding box of a selection within the trajectory

Parameters

Name	Type	Description	Default
selection	str | AtomGroup	A selection phrase or AtomGroup When not specified, the whole entity is considered	None
frame	int	Frame number of trajectory to use for calculating bounds. When not specified, current trajectory frame is used	None

position_cache_mean

Trajectory.position_cache_mean(frame)

Return the mean position from the currently cached positions

remove_selection

Trajectory.remove_selection(name)

Removes the selection with the given name

reset_playback

Trajectory.reset_playback()

Set the playback settings to their default values

set_frame

Trajectory.set_frame(frame)

Update the positions, selections and calculations for this trajectory, based on frame number of the current scene, not the frame number of the Universe

update_position_cache

Trajectory.update_position_cache(frame, cache_ahead=True)

Update the currently cached positions, based on the new frame