density_map#
- density_map(univ, atom_types, interface_coordinate, axis='z', eps=3.0, start=0, end=-1, bin_size=0.1)[source]#
Create a 2D density map of atoms within a specified distance of an interface.
- Parameters:
- univmda.Universe
The input MDAnalysis Universe to analyze.
- atom_typesstr or list
Atom types to consider.
- interface_coordinatefloat
Interface coordinate along the given axis.
- axisstr
Axis parallel to which to calculate the density.
- epsfloat
Half-thickness of the slab: atoms between
interface_coordinate - epsandinterface_coordinate + epsare counted.- startint
Starting trajectory frame.
- endint
Ending trajectory frame.
- bin_sizefloat
Size of bins for the histogram in Angstroms.
- Returns:
- pd.DataFrame
2D average density map.