assignLeaflets()

Description

assignLeaflets() is a function used to identify the leaflets in which the membrane molecules are found. Extensive explanations on why leaflets are essential and why membrane geometries are esential can be found in the related tutorial.

During a normal use of ML-LPA, leaflets are automatically assigned if needed by the doVoro() function. The function assignLeaflets() is only used if one wants to extract the leaflets to study them.

Argument, keywords and outputs

Input(s) / Argument(s)

Name	Flag	Type	Description
Systems		list of classes System	Instances of the System classes containing the molecules to save in a file.
Geometry	geometry=	str	(Opt.) Geometry of the system to perform the tessellations on. Complete list is given in the related tutorial. By default, the geometry is set to a (2D) bilayer.

Output(s)

Name	Type	Description
Leaflets	np.ndarray	Array of the leaflets assigned to the membrane molecules.

Examples

Tessellate 1 system with a 2D bilayer geometry

The following example will assign the leaflets in one instance of the System class, system_A, based on the given geometry bilayer and return the result in the array leaflet_array

import mllpa

leaflet_array = mllpa.assignLeaflets(system_A, geometry='bilayer')

Tessellate 2 systems with a 3D vesicle geometry

The following example will assign the leaflets in two instances of the System class, system_A and system_B, based on the given geometry vesicle_3d and return the result in the array leaflet_array

leaflet_array = mllpa.assignLeaflets([system_A, system_B], geometry='vesicle_3d')