Maps of order parameters

class gorder.ordermap.OrderMap(output_directory=None, min_samples=1, dim=Ellipsis, bin_size=Ellipsis, plane=None)

Represents the parameters for generating ordermaps.

output_directory

Directory where the output files containing individual order maps will be saved.

Type:

Optional[str]

min_samples

Minimum number of samples required in a grid tile to calculate the order parameter. Default is 1.

Type:

Optional[int]

dim

Span of the grid along the axes. - The first span corresponds to the x-axis (if the map is in the xy or xz plane) or the z-axis (if the map is in the yz plane). - The second span corresponds to the y-axis (if the map is in the xy or yz plane) or the z-axis (if the map is in the xz plane). If not specified, the span is derived from the simulation box size of the input structure.

Type:

Optional[List[Union[str, List[float]]]]

bin_size

Size of the grid bin along the axes. - The first bin dimension corresponds to the x-axis (if the map is in the xy or xz plane) or the z-axis (if the map is in the yz plane). - The second bin dimension corresponds to the y-axis (if the map is in the xy or yz plane) or the z-axis (if the map is in the xz plane). Defaults to [0.1, 0.1] nm if not specified.

Type:

Optional[List[float]]

plane

Plane in which the order maps should be constructed. Allowed values are xy, xz, or yz. If not specified, the plane is assumed to be perpendicular to the membrane normal.

Type:

Optional[str]