area_per_lipid | MDFactory

Area per lipid analysis using Voronoi tessellation.

func_area_per_lipid_frame(atomgroup, species_atoms_map) → list[dict[str, float | int | str]]

paramatomgroup

paramspecies_atoms_map

Returns

list[dict[str, float | int | str]]

funcarea_per_lipid(simulation, *, start_ns=None, last_ns=300.0, stride=1, backend='multiprocessing', n_workers=4) → pd.DataFrame

Compute area per lipid from headgroup XY Voronoi tessellation.

paramsimulationSimulation

Simulation instance with universe and build input.

paramstart_nsfloat | None

= None

Start analysis from this time in nanoseconds. Ignored when last_ns is set.

paramlast_nsfloat | None

= 300.0

Analyze the last N ns of the trajectory. Use None for full trajectory.

paramstrideint

= 1

Frame stride.

parambackendstr

= 'multiprocessing'

MDAnalysis backend for parallel execution.

paramn_workersint

= 4

Number of workers for parallel execution.

Returns

pandas.DataFrame

Area per lipid data with columns time_ns, frame, leaflet, species, apl, n_lipids.