Source code for pyparamgui.widget

"""Simulation widget module."""

from __future__ import annotations

import pathlib

import anywidget
import traitlets
from glotaran.io import load_dataset
from pyglotaran_extras import plot_data_overview

from pyparamgui.schema import IRF
from pyparamgui.schema import KineticParameters
from pyparamgui.schema import Settings
from pyparamgui.schema import SimulationConfig
from pyparamgui.schema import SpectralCoordinates
from pyparamgui.schema import SpectralParameters
from pyparamgui.schema import TimeCoordinates
from pyparamgui.schema import generate_simulation_coordinates
from pyparamgui.utils import generate_model_parameter_and_data_files




class Widget(anywidget.AnyWidget):
    """A widget class for handling simulation parameters, coordinates and settings.

    Attributes
    ----------
    _esm : pathlib.Path
        Path to the JavaScript file for the widget.
    _css : pathlib.Path
        Path to the CSS file for the widget.
    decay_rates_input : traitlets.List
        List of decay rates as floats.
    amplitude_input : traitlets.List
        List of amplitudes as floats.
    location_input : traitlets.List
        List of locations as floats.
    width_input : traitlets.List
        List of widths as floats.
    skewness_input : traitlets.List
        List of skewness values as floats.
    timepoints_max_input : traitlets.Int
        Maximum number of timepoints.
    timepoints_stepsize_input : traitlets.Float
        Step size for timepoints.
    wavelength_min_input : traitlets.Float
        Minimum wavelength value.
    wavelength_max_input : traitlets.Float
        Maximum wavelength value.
    wavelength_stepsize_input : traitlets.Float
        Step size for wavelength.
    stdev_noise_input : traitlets.Float
        Standard deviation of noise.
    seed_input : traitlets.Int
        Seed for random number generation.
    add_gaussian_irf_input : traitlets.Bool
        Flag to add Gaussian IRF.
    irf_location_input : traitlets.Float
        Location of the IRF center.
    irf_width_input : traitlets.Float
        Width of the IRF.
    use_sequential_scheme_input : traitlets.Bool
        Flag to use sequential scheme.
    model_file_name_input : traitlets.Unicode
        Name of the model file.
    parameter_file_name_input : traitlets.Unicode
        Name of the parameter file.
    data_file_name_input : traitlets.Unicode
        Name of the data file.
    simulate : traitlets.Unicode
        Trigger for simulation.
    visualize_data : traitlets.Bool
        Flag to visualize data.
    """

    _esm: pathlib.Path = pathlib.Path(__file__).parent / "static" / "form.js"
    _css: pathlib.Path = pathlib.Path(__file__).parent / "static" / "form.css"
    decay_rates_input: traitlets.List = traitlets.List(trait=traitlets.Float()).tag(sync=True)
    amplitude_input: traitlets.List = traitlets.List(trait=traitlets.Float()).tag(sync=True)
    location_input: traitlets.List = traitlets.List(trait=traitlets.Float()).tag(sync=True)
    width_input: traitlets.List = traitlets.List(trait=traitlets.Float()).tag(sync=True)
    skewness_input: traitlets.List = traitlets.List(trait=traitlets.Float()).tag(sync=True)
    timepoints_max_input: traitlets.Int = traitlets.Int().tag(sync=True)
    timepoints_stepsize_input: traitlets.Float = traitlets.Float().tag(sync=True)
    wavelength_min_input: traitlets.Float = traitlets.Float().tag(sync=True)
    wavelength_max_input: traitlets.Float = traitlets.Float().tag(sync=True)
    wavelength_stepsize_input: traitlets.Float = traitlets.Float().tag(sync=True)
    stdev_noise_input: traitlets.Float = traitlets.Float().tag(sync=True)
    seed_input: traitlets.Int = traitlets.Int().tag(sync=True)
    add_gaussian_irf_input: traitlets.Bool = traitlets.Bool().tag(sync=True)
    irf_location_input: traitlets.Float = traitlets.Float().tag(sync=True)
    irf_width_input: traitlets.Float = traitlets.Float().tag(sync=True)
    use_sequential_scheme_input: traitlets.Bool = traitlets.Bool().tag(sync=True)
    model_file_name_input: traitlets.Unicode = traitlets.Unicode("").tag(sync=True)
    parameter_file_name_input: traitlets.Unicode = traitlets.Unicode("").tag(sync=True)
    data_file_name_input: traitlets.Unicode = traitlets.Unicode("").tag(sync=True)
    simulate: traitlets.Unicode = traitlets.Unicode("").tag(sync=True)
    visualize_data: traitlets.Bool = traitlets.Bool(default_value=True).tag(sync=True)



    def __init__(self):
        """Initialize the Widget instance and set up traitlet observers.

        This constructor initializes the Widget instance by calling the parent
        class's initializer and sets up an observer for the 'simulate' traitlet.
        The observer triggers the `_simulate` function whenever the 'simulate'
        traitlet changes.

        Observers:
            - simulate: Calls the `_simulate` function when the 'simulate' traitlet changes.
        """
        super().__init__()
        self.observe(handler=_simulate, names=["simulate"])






def _simulate(change: dict) -> None:
    """Generate simulation files based on (global) widget (`_widget`) inputs.

    This private callback function creates model, parameter, and data files
    using the current widget (`_widget`) state. The 'change' parameter is unused but
    required for traitlet observation.
    """
    widget_instance = change["owner"]
    simulation_config = SimulationConfig(
        kinetic_parameters=KineticParameters(decay_rates=widget_instance.decay_rates_input),
        spectral_parameters=SpectralParameters(
            amplitude=widget_instance.amplitude_input,
            location=widget_instance.location_input,
            width=widget_instance.width_input,
            skewness=widget_instance.skewness_input,
        ),
        coordinates=generate_simulation_coordinates(
            TimeCoordinates(
                timepoints_max=widget_instance.timepoints_max_input,
                timepoints_stepsize=widget_instance.timepoints_stepsize_input,
            ),
            SpectralCoordinates(
                wavelength_min=widget_instance.wavelength_min_input,
                wavelength_max=widget_instance.wavelength_max_input,
                wavelength_stepsize=widget_instance.wavelength_stepsize_input,
            ),
        ),
        settings=Settings(
            stdev_noise=widget_instance.stdev_noise_input,
            seed=widget_instance.seed_input,
            add_gaussian_irf=widget_instance.add_gaussian_irf_input,
            use_sequential_scheme=widget_instance.use_sequential_scheme_input,
        ),
        irf=IRF(center=widget_instance.irf_location_input, width=widget_instance.irf_width_input),
    )
    generate_model_parameter_and_data_files(
        simulation_config,
        model_file_name=widget_instance.model_file_name_input,
        parameter_file_name=widget_instance.parameter_file_name_input,
        data_file_name=widget_instance.data_file_name_input,
    )
    if widget_instance.visualize_data:
        irf_location = (
            None
            if not simulation_config.settings.add_gaussian_irf
            else simulation_config.irf.center
        )
        plot_data_overview(
            dataset=load_dataset(widget_instance.data_file_name_input), irf_location=irf_location
        )