ADR Suggestion The Analysis object

[damskii9992]

General

Following the discussion of the Top-level API in https://github.com/orgs/easyscience/discussions/29, the Analysis object is one of the 5 main objects in the API which the user will interact with.
The Analysis object is responsible for linking a SampleModel to a RoiSpectrum, to translate the SampleModel into a syntax readable by the BackendCalculator, and to fit the model to the data via the chosen Minimizer.

Current Implementation

The Analysis object has not currently been implemented

Proposed Implementation

The Analysis object takes in any number of SampleModels and RoiSpectrum objects and optionally the chosen calculator and minimizer, as discussed in https://github.com/orgs/easyscience/discussions/31.
If the Analysis object contains multiple SampleModels and/or multiple RoiSpectrums, the refinement strategy is by default a simultaneous refinement.

class Analysis(AnalysisBase):
   def __init__(
      self,
      models: list[SampleModel],
      spectrums: list[RoiSpectrum],
      minimizer: MinimizerBase
      calculator: CalculatorBase

Contains the Minimizer

Upon its construction, the Analysis class will call the MinimizerFactory to get a Minimizer object according to the users inputs and attach it. If the user change minimization settings the Analysis class will call the MinimizerFactory again and replace its current Minimizer with the new one from the factory.

Contains the Calculator

Similar to the Minimizer, the Analysis class will also call the CalculatorFactory and attach the returned Calculator.
In order to allow the SampleModel and Experiment object to use a Calculator to calculate the theoretical spectrums, the Analysis class will implement the class methods:

@classmethod
def plot(wavelength, SampleModel, InstrumentModel):
   calculator = CalculatorFactory(SampleModel, InstrumentModel)
   ideal_spectrum = calculator.calculate(wavelengths)
   return plt.plot(spectrum)

Utility methods

The Analysis object will additionally provide a number of utility methods for user usage:

• .parameters will list all the fitable parameters contained in the SampleModel and InstrumentModel