from typing import Union
from easyreflectometry.parameter_utils import get_as_parameter
from easyreflectometry.special.calculations import weighted_average
from easyscience.Fitting.Constraints import FunctionalConstraint
from easyscience.Objects.ObjectClasses import Parameter
from ...base_core import BaseCore
from .material import DEFAULTS as MATERIAL_DEFAULTS
from .material import Material
DEFAULTS = {
'fraction': {
'description': 'The fraction of material b in material a',
'value': 0.5,
'units': 'dimensionless',
'min': 0,
'max': 1,
'fixed': True,
}
}
DEFAULTS.update(MATERIAL_DEFAULTS)
[docs]
class MaterialMixture(BaseCore):
# Added in super().__init__
_material_a: Material
_material_b: Material
_fraction: Parameter
[docs]
def __init__(
self,
material_a: Union[Material, None] = None,
material_b: Union[Material, None] = None,
fraction: Union[Parameter, float, None] = None,
name: Union[str, None] = None,
interface=None,
):
"""Constructor.
:param material_a: The first material.
:param material_b: The second material.
:param fraction: The fraction of material_b in material_a.
:param name: Name of the material, defaults to None that causes the name to be constructed.
:param interface: Calculator interface, defaults to `None`.
"""
if material_a is None:
material_a = Material(interface=interface)
if material_b is None:
material_b = Material(interface=interface)
fraction = get_as_parameter('fraction', fraction, DEFAULTS)
sld = weighted_average(
a=material_a.sld.raw_value,
b=material_b.sld.raw_value,
p=fraction.raw_value,
)
isld = weighted_average(
a=material_a.isld.raw_value,
b=material_b.isld.raw_value,
p=fraction.raw_value,
)
self._sld = get_as_parameter('sld', sld, DEFAULTS)
self._isld = get_as_parameter('isld', isld, DEFAULTS)
# To avoid problems when setting the interface
# self._sld and self._isld need to be declared before calling the super constructor
super().__init__(
name,
_material_a=material_a,
_material_b=material_b,
_fraction=fraction,
interface=interface,
)
if name is None:
self._update_name()
self._materials_constraints()
self.interface = interface
def _get_linkable_attributes(self):
return [self._sld, self._isld]
@property
def sld(self) -> float:
return self._sld.raw_value
@property
def isld(self) -> float:
return self._isld.raw_value
def _materials_constraints(self):
self._sld.enabled = True
self._isld.enabled = True
constraint = FunctionalConstraint(
dependent_obj=self._sld,
func=weighted_average,
independent_objs=[self._material_a.sld, self._material_b.sld, self._fraction],
)
self._material_a.sld.user_constraints['sld'] = constraint
self._material_b.sld.user_constraints['sld'] = constraint
self._fraction.user_constraints['sld'] = constraint
constraint()
iconstraint = FunctionalConstraint(
dependent_obj=self._isld,
func=weighted_average,
independent_objs=[self._material_a.isld, self._material_b.isld, self._fraction],
)
self._material_a.isld.user_constraints['isld'] = iconstraint
self._material_b.isld.user_constraints['isld'] = iconstraint
self._fraction.user_constraints['isld'] = iconstraint
iconstraint()
@property
def fraction(self) -> float:
"""Get the fraction of material_b."""
return self._fraction.raw_value
@fraction.setter
def fraction(self, fraction: float) -> None:
"""Setter for fraction of material_b.
:param fraction: The fraction of material_b in material_a.
"""
if not isinstance(fraction, float):
raise ValueError('fraction must be a float')
self._fraction.raw_value = fraction
@property
def material_a(self) -> Material:
"""Getter for material_a."""
return self._material_a
@material_a.setter
def material_a(self, new_material_a: Material) -> None:
"""Setter for material_a
:param new_material_a: New Material for material_a
"""
self._material_a = new_material_a
self._materials_constraints()
if self.interface is not None:
self.interface.generate_bindings(self)
self._update_name()
@property
def material_b(self) -> Material:
"""Getter for material_b."""
return self._material_b
@material_b.setter
def material_b(self, new_material_b: Material) -> None:
"""Setter for material_b
:param new_material_b: New Materialfor material_b
"""
self._material_b = new_material_b
self._materials_constraints()
if self.interface is not None:
self.interface.generate_bindings(self)
self._update_name()
def _update_name(self) -> None:
self.name = self._material_a.name + '/' + self._material_b.name
# Representation
@property
def _dict_repr(self) -> dict[str, str]:
"""A simplified dict representation."""
return {
self.name: {
'fraction': f'{self._fraction.raw_value:.3f} {self._fraction.unit}',
'sld': f'{self._sld.raw_value:.3f}e-6 {self._sld.unit}',
'isld': f'{self._isld.raw_value:.3f}e-6 {self._isld.unit}',
'material_a': self._material_a._dict_repr,
'material_b': self._material_b._dict_repr,
}
}
[docs]
def as_dict(self, skip: list = None) -> dict[str, str]:
"""Produces a cleaned dict using a custom as_dict method to skip necessary things.
The resulting dict matches the parameters in __init__
:param skip: List of keys to skip, defaults to `None`.
"""
this_dict = super().as_dict(skip=skip)
this_dict['material_a'] = self._material_a.as_dict()
this_dict['material_b'] = self._material_b.as_dict()
this_dict['fraction'] = self._fraction.as_dict()
return this_dict
