from abc import ABC, abstractmethod
[docs]class Calibrator(ABC):
"""Base class for calibrators for use by InstrumentCalibrator"""
@property
@abstractmethod
def type(self):
"""The type of the calibrator"""
pass
[docs] @abstractmethod
def create_lmfit_params(self, current_params):
"""Create lmfit parameters that this class will use and return them
current_params is passed only so that this class can ensure that
it does not produce any name conflicts with existing parameters.
It is recommended to save the names of the parameters created,
for example, `self.param_names`, to remember them when updating
in the future.
For example, the powder calibrator creates lmfit parameters
for the lattice parameters. The Laue calibrator creates lmfit
parameters for crystal parameters.
"""
pass
[docs] @abstractmethod
def update_from_lmfit_params(self, params_dict):
"""Update any needed properties based on the params_dict
The entries in the params_dict should have the same names as those
that were created via `create_lmfit_params()`. Update any local
parameters based upon the new contents of the params_dict.
For example, the powder calibrator will update the lattice parameters
on the material. The Laue calibrator will update crystal parameters.
"""
pass
[docs] @abstractmethod
def residual(self, calibration_data=None):
"""Compute a residual using the calibration data.
Calibration data may have already been stored as an attribute on
the calibration class instead, in which case, calibration_data can
be `None`.
"""
pass
@property
@abstractmethod
def calibration_picks(self):
"""A way to retrieve picks in calibration format
Often, the calibrators store the picks in a different format
internally. But the calibrators must have a way to set/get
from the calibration_picks format. The calibration_picks
format looks like this:
{
"det_key1": {
"hkl1": picks1,
"hkl2": picks2,
...
},
"det_key2": ...
}
Where "det_key" is the detector key. "hkl" is a space-delimited
string of the hkl. And "picks" are either a list of points (powder)
or a single point (laue). The picks are in cartesian coordinates.
"""
pass
@calibration_picks.setter
@abstractmethod
def calibration_picks(self, val):
"""Setter for calibration_picks. See getter docs for details."""
pass