Source code for ess.beer.data

# SPDX-License-Identifier: BSD-3-Clause
# Copyright (c) 2025 Scipp contributors (https://github.com/scipp)
"""Data for tests and documentation with BEER."""

from pathlib import Path

import scipp as sc

from ess.reduce.data import make_registry

__all__ = ["mcstas_duplex", "mcstas_silicon_medium_resolution"]

_registry = make_registry(
    "ess/beer",
    version="1",
    files={
        "duplex-mode07.h5": "md5:e8d44197e4bc6a84ab9265bfabd96efe",
        "duplex-mode08.h5": "md5:7cd2cf86d5d98fe07097ff98b250ba9b",
        "duplex-mode09.h5": "md5:ebb3f9694ffdd0949f342bd0deaaf627",
        "duplex-mode10.h5": "md5:559e7fc0cce265f5102520e382ee5b26",
        "duplex-mode16.h5": "md5:2ccd05832bbc8a087a731b37364b995d",
        "silicon-mode09.h5": "md5:aa068d46dc7efc303b68a13e527e2607",
        "mccode_quartz_mode10.h5": "md5:fd6ea529cad7cefdcb57bf57bc27668c",
        "mccode_quartz_mode16.h5": "md5:b9bef04bd6e4c60a8a0d55d4d6ebb89f",
        "mccode_quartz_mode7.h5": "md5:24c7006336f58c26689abec1645cfba1",
        "mccode_quartz_mode8.h5": "md5:9a4606ce56a6397d05d70246d54407d6",
        "mccode_quartz_mode9.h5": "md5:1394df47287ecd62bfa62c200203f214",
        "silicon-dhkl.tab": "md5:59ee9ed57a7c039ce416c8df886da9cc",
        "duplex-dhkl.tab": "md5:b4c6c2fcd66466ad291f306b2d6b346e",
        "dhkl_quartz_nc.tab": "md5:40887d736e3acf859e44488bfd9a9213",
    },
)



[docs]
def mcstas_duplex(mode: int) -> Path:
    """
    Simulated intensity from duplex sample with ``mode`` chopper configuration.
    """
    return _registry.get_path(f'duplex-mode{mode:02}.h5')




[docs]
def mcstas_quartz(mode: int) -> Path:
    """
    Simulated intensity from quartz sample with ``mode`` chopper configuration.
    """
    return _registry.get_path(f'mccode_quartz_mode{mode}.h5')




[docs]
def mcstas_silicon_medium_resolution() -> Path:
    """
    Simulated intensity from silicon sample with
    medium resolution chopper configuration.
    """
    return _registry.get_path('silicon-mode09.h5')




[docs]
def duplex_peaks() -> Path:
    return _registry.get_path('duplex-dhkl.tab')




[docs]
def quartz_peaks() -> Path:
    return _registry.get_path('dhkl_quartz_nc.tab')




[docs]
def silicon_peaks() -> Path:
    return _registry.get_path('silicon-dhkl.tab')



def _read_peak_file_to_dataarray(name: Path):
    with open(name) as f:
        return sc.array(
            dims='d',
            values=sorted([float(x) for x in f.read().split('\n') if x != '']),
            unit='angstrom',
        )



[docs]
def duplex_peaks_array() -> sc.Variable:
    return _read_peak_file_to_dataarray(duplex_peaks())




[docs]
def silicon_peaks_array() -> sc.Variable:
    return _read_peak_file_to_dataarray(silicon_peaks())




[docs]
def quartz_peaks_array() -> sc.Variable:
    return _read_peak_file_to_dataarray(quartz_peaks())