Items#

The item library is the backbone of EasyReflectometry. An EasyReflectometry.sample.item allows for the inclusion of physical and chemical parameterisation into our reflectometry model. For more information please look at the `item library documentation`_

class EasyReflectometry.sample.items.multilayer.MultiLayer(layers, name='EasyMultiLayer', interface=None)[source]#

Bases: BaseObj

A MultiLayer consists of a series of EasyReflectometry.sample.layer.Layer or EasyReflectometry.sample.layers.Layers. This item will arrange the layers as slabs, one on top of another, allowing the reflectometry to be determined from them.

More information about the usage of this item is available in the `item library documentation`_

add_layer(*layers)[source]#

Add a layer to the item.

Parameters

*layers –

Layers to add to item

classmethod default(interface=None)[source]#

Default constructor for a multi-layer item.

Returns

MultiLayer container

Return type

MultiLayer

duplicate_layer(idx)[source]#

Duplicate a given layer.

Parameters

idx (int) – index of layer to duplicate

classmethod from_pars(layers, name='EasyMultiLayer', interface=None)[source]#

Constructor of a multi-layer item where the parameters are known.

Parameters

layers (EasyReflectometry.layers.Layers) – The layers in the multi-layer

Returns

MultiLayer container

Return type

MultiLayer

remove_layer(idx)[source]#

Remove a layer from the item.

Parameters

idx (int) – index of layer to remove

property uid#

Return a UID from the borg map

user_data: dict#
class EasyReflectometry.sample.items.repeating_multilayer.RepeatingMultiLayer(layers, repetitions, name='EasyRepeatingMultiLayer', interface=None)[source]#

Bases: MultiLayer

A RepeatingMultiLayer takes a MultiLayer and repeats it a some number of times. This enables a computational efficiency in many reflectometry engines as the operation can be performed for a single MultiLayer and cheaply combined for the appropriate number of repetitions.

More information about the usage of this item is available in the `item library documentation`_

classmethod default(interface=None)[source]#

Default constructor for the reflectometry repeating multi layer.

Return type

RepeatingMultiLayer

Returns

Default repeating multi-layer container

classmethod from_pars(layers, repetitions=1.0, name='EasyRepeatingMultiLayer', interface=None)[source]#

Constructor of a reflectometry repeating multi layer where the parameters are known.

Parameters

  • layers (Layers) – The layers in the repeating multi layer

  • repetitions (float) – Number of repetitions, defaults to :py:attr`1`.

Return type

RepeatingMultiLayer

Returns

Repeating multi-layer container

property uid: int#

UID from the borg map

Type

return

Return type

int

user_data: dict#
class EasyReflectometry.sample.items.surfactant_layer.SurfactantLayer(layers, name='EasySurfactantLayer', constrain_apm=False, conformal_roughness=False, interface=None)[source]#

Bases: MultiLayer

A SurfactantLayer constructs a series of layers representing the head and tail groups of a surfactant. This item allows the definition of a surfactant or lipid using the chemistry of the head and tail regions, additionally this approach will make the application of constraints such as conformal roughness or area per molecule more straight forward.

More information about the usage of this item is available in the `item library documentation`_

as_dict(skip=[])[source]#

Custom as_dict method to skip necessary things.

Return type

dict

Returns

Cleaned dictionary.

property conformal_roughness: bool#

is the roughness is the same for both layers.

Type

return

Return type

bool

constain_multiple_contrast(another_contrast, layer1_thickness=True, layer2_thickness=True, layer1_area_per_molecule=True, layer2_area_per_molecule=True, layer1_fraction=True, layer2_fraction=True)[source]#

Constrain structural parameters between surfactant layer objects.

Parameters

another_contrast (SurfactantLayer) – The surfactant layer to constrain

property constrain_apm: bool#

if the area per molecule is constrained

Type

return

Return type

bool

constrain_solvent_roughness(solvent_roughness)[source]#

Add the constraint to the solvent roughness.

Parameters

solvent_roughness (Parameter) – The solvent roughness parameter.

classmethod default(interface=None)[source]#

Default constructor for a surfactant layer object. The default lipid type is DPPC.

Return type

SurfactantLayer

Returns

Surfactant layer object.

classmethod from_pars(layer1_chemical_structure, layer1_thickness, layer1_solvent, layer1_solvation, layer1_area_per_molecule, layer1_roughness, layer2_chemical_structure, layer2_thickness, layer2_solvent, layer2_solvation, layer2_area_per_molecule, layer2_roughness, name='EasySurfactantLayer', interface=None)[source]#

Constructor for the surfactant layer where the parameters are known, layer1 is that which the neutrons interact with first.

Parameters

  • layer1_chemical_structure (str) – Chemical formula for first layer

  • layer1_thickness (float) – Thicknkess of first layer

  • layer1_solvent (Material) – Solvent in first layer

  • layer1_solvation (float) – Fractional solvation of first layer by layer1_solvent

  • layer1_area_per_molecule (float) – Area per molecule of first layer

  • layer1_roughness (float) – Roughness of first layer

  • layer2_chemical_structure (str) – Chemical formula for second layer

  • layer2_thickness (float) – Thicknkess of second layer

  • layer2_solvent (Material) – Solvent in second layer

  • layer2_solvation (float) – Fractional solvation of second layer by layer2_solvent

  • layer2_area_per_molecule (float) – Area per molecule of second layer

  • layer2_roughness (float) – Roughness of second layer

  • name (str) – Name for surfactant layer

Return type

SurfactantLayer

user_data: dict#