Layers

Overview

hoobas.Layers.Multilayer	Makes multilayered structures of hoobas.Composite.CompositeObject
hoobas.Layers.LayeredTiling	class meant to emulate liquid-liquid phase separation by pre-separating components.

Details

class hoobas.Layers.LayeredTiling(nx=1, ny=1, **kwargs)

class meant to emulate liquid-liquid phase separation by pre-separating components. The layers will be N x M tiles of different chains. The chains will be fully phase separated; if a ternary mixture A-B-C needs to be built in tiles of A-B + C, this can be made by using a list of component and numbers in the species

Args:

nx (int): number of tiles in X direction

ny (int): number of tiles in Y direction

alternating_directions (bool): whether to reverse objects between layers

NLayers (int): number of layers to build

add_species(species_type, species_per_layer, squish=None)

Adds hoobas.Composite.CompositeObject species to the layers.

Parameters:

• species_type (Composite.CompositeObject, list[Composite.CompositeObject]) – type of species to add
• species_per_layer (int, list[int]) – number of objects per layer
• squish (float, list[float]) – how much individual object types should be squished

Returns:

None

class hoobas.Layers.Multilayer(NLayers=1, units=None, alternating_directions=True)

Makes multilayered structures of hoobas.Composite.CompositeObject

Args:

NLayers: how many layers should be built

alternating_directions (bool): whether objects should be reversed between layers

add_species(species_type, species_per_layer, squish=None)

Add a species of hoobas.Composite.CompositeObjects to the layer

Parameters:

• species_type (Composite.CompositeObject) – Object to add
• species_per_layer (int, callable) – Number of objects on each layer
• squish (float) – relative depth of the object

Returns:

None

force_layer_thickness(thickness)

Forces the individual layers to have a specific thickness

Parameters:thickness (float) – thickness of the layers Returns:None

transform(lattice, hkl=None, position_map=None, normal_map=None, shift=None)

Transform the 2D flat (x,y) layer into an arbitrary (hkl) crystal plane. This is done by specifying two in-plane crystal vectors. Curved surfaces can be generated by passing functions that map the (x,y : [-1,1]) coordinates to a center position for vec_a and (x,y) coordinate to a surface normal. The surface normal has to be supplied for non-cubic systems since it cannot be properly recovered in fractional coordinates. All coordinates are fractional

Parameters:

• lattice – crystal lattice
• hkl – Miller indices of the plane
• position_map – (x,y) -> position mapping function (curved plane)
• normal_map – (x,y) -> surface normal mapping function (curved plane)

Returns: