Source code for ess.sans.workflow

# SPDX-License-Identifier: BSD-3-Clause
# Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
from collections.abc import Hashable, Iterable

import pandas as pd
import sciline
import scipp as sc

from ess.reduce.parameter import parameter_mappers

from .types import (
    BackgroundRun,
    CleanSummedQ,
    Denominator,
    DetectorMasks,
    Filename,
    NeXusDetectorName,
    Numerator,
    PixelMaskFilename,
    SampleRun,
)


def _merge(*dicts: dict) -> dict:
    return {key: value for d in dicts for key, value in d.items()}


def merge_contributions(*data: sc.DataArray) -> sc.DataArray:
    if len(data) == 1:
        return data[0]
    reducer = sc.reduce(data)
    return reducer.bins.concat() if data[0].bins is not None else reducer.sum()




def with_pixel_mask_filenames(
    workflow: sciline.Pipeline, masks: Iterable[str]
) -> sciline.Pipeline:
    """
    Return modified workflow with pixel mask filenames set.

    Parameters
    ----------
    workflow:
        Workflow to modify.
    masks:
        List or tuple of pixel mask filenames to set.
    """
    workflow = workflow.copy()
    workflow[DetectorMasks] = (
        workflow[DetectorMasks]
        .map(pd.DataFrame({PixelMaskFilename: masks}).rename_axis('mask'))
        .reduce(index='mask', func=_merge)
    )
    return workflow





def with_banks(
    workflow: sciline.Pipeline,
    banks: Iterable[str],
    index: Iterable[Hashable] | None = None,
) -> sciline.Pipeline:
    """
    Return modified workflow with bank names set.

    Since banks typically have different Q-resolution the I(Q) of banks are not merged.
    That is, the resulting workflow will have separate outputs for each bank. Use
    :py:func:`sciline.compute_mapped` to compute results for all banks.

    Parameters
    ----------
    workflow:
        Workflow to modify.
    banks:
        List or tuple of bank names to set.
    index:
        Index to use for the DataFrame. If not provided, the bank names are used.
    """
    index = index or banks
    return workflow.map(
        pd.DataFrame({NeXusDetectorName: banks}, index=index).rename_axis('bank')
    )



def _set_runs(
    pipeline: sciline.Pipeline, runs: Iterable[str], key: Hashable, axis_name: str
) -> sciline.Pipeline:
    pipeline = pipeline.copy()
    runs = pd.DataFrame({Filename[key]: runs}).rename_axis(axis_name)
    for part in (Numerator, Denominator):
        pipeline[CleanSummedQ[key, part]] = (
            pipeline[CleanSummedQ[key, part]]
            .map(runs)
            .reduce(index=axis_name, func=merge_contributions)
        )
    return pipeline




def with_sample_runs(
    workflow: sciline.Pipeline, runs: Iterable[str]
) -> sciline.Pipeline:
    """
    Return modified workflow with sample run filenames set.

    Parameters
    ----------
    workflow:
        Workflow to modify.
    runs:
        List or tuple of sample run filenames to set.
    """
    return _set_runs(workflow, runs, SampleRun, 'sample_run')





def with_background_runs(
    workflow: sciline.Pipeline, runs: Iterable[str]
) -> sciline.Pipeline:
    """
    Return modified workflow with background run filenames set.

    Parameters
    ----------
    workflow:
        Workflow to modify.
    runs:
        List or tuple of background run filenames to set.
    """
    return _set_runs(workflow, runs, BackgroundRun, 'background_run')



parameter_mappers[PixelMaskFilename] = with_pixel_mask_filenames
parameter_mappers[NeXusDetectorName] = with_banks
parameter_mappers[Filename[SampleRun]] = with_sample_runs
parameter_mappers[Filename[BackgroundRun]] = with_background_runs