# SPDX-License-Identifier: BSD-3-Clause
# Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
"""Data for tests and documentation with DREAM."""
_version = "2"
__all__ = ["get_path"]
def _make_pooch():
import pooch
return pooch.create(
path=pooch.os_cache("ess/dream"),
env="ESS_DATA_DIR",
base_url="https://public.esss.dk/groups/scipp/ess/dream/{version}/",
version=_version,
registry={
"data_dream_with_sectors.csv.zip": "md5:52ae6eb3705e5e54306a001bc0ae85d8",
"data_dream0_new_hkl_Si_pwd.csv.zip": "md5:d0ae518dc1b943bb817b3d18c354ed01", # noqa: E501
"DREAM_nexus_sorted-2023-12-07.nxs": "md5:22824e14f6eb950d24a720b2a0e2cb66",
"DREAM_simple_pwd_workflow/data_dream_diamond_vana_container_sample_union.csv.zip": "md5:33302d0506b36aab74003b8aed4664cc", # noqa: E501
"DREAM_simple_pwd_workflow/data_dream_diamond_vana_container_sample_union_run2.csv.zip": "md5:c7758682f978d162dcb91e47c79abb83", # noqa: E501
"DREAM_simple_pwd_workflow/data_dream_vana_container_sample_union.csv.zip": "md5:b8bb7c4bdf74ad5f19342bced8670915", # noqa: E501
"DREAM_simple_pwd_workflow/data_dream_vanadium.csv.zip": "md5:e5addfc06768140c76533946433fa2ec", # noqa: E501
"DREAM_simple_pwd_workflow/data_dream_vanadium_inc_coh.csv.zip": "md5:39d1a44e248b12966b26f7c2f6c602a2", # noqa: E501
"DREAM_simple_pwd_workflow/Cave_TOF_Monitor_diam_in_can.dat": "md5:ef24f4a4186c628574046e6629e31611", # noqa: E501
"DREAM_simple_pwd_workflow/Cave_TOF_Monitor_van_can.dat": "md5:2cdef7ad9912652149b7e687381d2e99", # noqa: E501
"DREAM_simple_pwd_workflow/Cave_TOF_Monitor_vana_inc_coh.dat": "md5:701d66792f20eb283a4ce76bae0c8f8f", # noqa: E501
"DREAM-high-flux-tof-lookup-table.h5": "md5:1b95a359fa7b0d8b4277806ece9bf279", # noqa: E501
# Smaller files for unit tests
"DREAM_simple_pwd_workflow/TEST_data_dream_diamond_vana_container_sample_union.csv.zip": "md5:405df9b5ade9d61ab71fe8d8c19bb51b", # noqa: E501
"DREAM_simple_pwd_workflow/TEST_data_dream_vana_container_sample_union.csv.zip": "md5:20186119d1debfb0c2352f9db384cd0a", # noqa: E501
"DREAM_simple_pwd_workflow/TEST_data_dream_vanadium.csv.zip": "md5:e5624a973f30dfe440642319c5bf0da6", # noqa: E501
"DREAM_simple_pwd_workflow/TEST_data_dream_vanadium_inc_coh.csv.zip": "md5:a2e7756b264f65ab5ed7ff7fb5eca280", # noqa: E501
"TEST_data_dream0_new_hkl_Si_pwd.csv.zip": "md5:df6c41f4b7b21e129915808f625828f6", # noqa: E501
"TEST_data_dream_with_sectors.csv.zip": "md5:2a6b5e40e6b67f6c71b25373bf4b11a1", # noqa: E501
# The TEST_DREAM_nexus_sorted-2023-12-07.nxs file was created using the
# `shrink_nexus.py` script in the `tools` folder at the top level of the
# `essdiffraction` repository.
"TEST_DREAM_nexus_sorted-2023-12-07.nxs": "md5:599b426a93c46a7b4b09a874bf288c53", # noqa: E501
},
)
_pooch = _make_pooch()
[docs]
def get_path(name: str, unzip: bool = False) -> str:
"""
Return the path to a data file bundled with ess.dream.
This function only works with example data and cannot handle
paths to custom files.
"""
import pooch
return _pooch.fetch(name, processor=pooch.Unzip() if unzip else None)
[docs]
def simulated_diamond_sample(*, small: bool = False) -> str:
"""Path to a GEANT4 CSV file for a diamond sample.
SciCat:
- PID: ``20.500.12269/d17b7169-b963-4b23-9455-d7332b992184``
- URL: https://staging.scicat.ess.eu/datasets/20.500.12269%2Fd17b7169-b963-4b23-9455-d7332b992184
**Sample**:
- Diamond powder
- radius=0.0059 m
- yheight=0.05-1e-9 m
- material
reflections of powder from "C_Diamond.laz" (McStas file)
incoherent process with sigma=0.001 barns, packing_factor=1,
unit cell volume=45.39 angstrom^3
absorption of 0.062 1/m
**Container**:
- radius=0.006 m
- yheight=0.05 m
- material
reflections of powder from "V.laz" (McStas file)
incoherent process with sigma=4.935 barns, packing factor=1,
unit cell volume=27.66 angstrom^3
absorption of 36.73 1/m
Parameters
----------
small:
If True, return a smaller version of the data file, with randomly selected rows.
The small version of the file was created using the following code:
```python
import numpy as np
import pandas as pd
fname = dream.data.simulated_diamond_sample()
df = pd.read_csv(fname, sep='\t')
inds = np.sort(np.random.choice(len(df), 10_000, replace=False))
df.iloc[inds].to_csv('TEST_' + fname.split('/')[-1], sep='\t', index=False)
```
"""
prefix = "TEST_" if small else ""
return get_path(
"DREAM_simple_pwd_workflow/"
f"{prefix}data_dream_diamond_vana_container_sample_union.csv.zip"
)
[docs]
def simulated_vanadium_sample(*, small: bool = False) -> str:
"""Path to a GEANT4 CSV file for a vanadium sample.
SciCat:
- PID: ``20.500.12269/9e43a311-dc17-4f0e-a4d4-2341186b5512``
- URL: https://staging.scicat.ess.eu/datasets/20.500.12269%2F9e43a311-dc17-4f0e-a4d4-2341186b5512
Contains both coherent and incoherent scattering.
**Sample**:
- radius=0.006 m
- yheight=0.01 m
- material
reflections of powder from "V.laz" (McStas file)
incoherent process with sigma=4.935 barns, packing factor=1,
unit cell volume=27.66 angstrom^3
absorption of 36.73 1/m
Parameters
----------
small:
If True, return a smaller version of the data file, with randomly selected rows.
The small version of the file was created using the following code:
```python
import numpy as np
import pandas as pd
fname = dream.data.simulated_vanadium_sample()
df = pd.read_csv(fname, sep='\t')
inds = np.sort(np.random.choice(len(df), 10_000, replace=False))
df.iloc[inds].to_csv('TEST_' + fname.split('/')[-1], sep='\t', index=False)
```
"""
prefix = "TEST_" if small else ""
return get_path(
f"DREAM_simple_pwd_workflow/{prefix}data_dream_vanadium_inc_coh.csv.zip"
)
[docs]
def simulated_vanadium_sample_incoherent(*, small: bool = False) -> str:
"""Path to a GEANT4 CSV file for a vanadium sample with only incoherent scattering.
SciCat:
- PID: ``20.500.12269/b170848e-455e-4c43-8666-68e20f922326``
- URL: https://staging.scicat.ess.eu/datasets/20.500.12269%2Fb170848e-455e-4c43-8666-68e20f922326
**Sample**:
- outer radius of sample in (x,z) plane=0.006 m
- vertical dimension of sample (along y)=0.01 m
- packing factor=1
Parameters
----------
small:
If True, return a smaller version of the data file, with randomly selected rows.
The small version of the file was created using the following code:
```python
import numpy as np
import pandas as pd
fname = dream.data.simulated_vanadium_sample_incoherent()
df = pd.read_csv(fname, sep='\t')
inds = np.sort(np.random.choice(len(df), 10_000, replace=False))
df.iloc[inds].to_csv('TEST_' + fname.split('/')[-1], sep='\t', index=False)
```
"""
prefix = "TEST_" if small else ""
return get_path(f"DREAM_simple_pwd_workflow/{prefix}data_dream_vanadium.csv.zip")
[docs]
def simulated_empty_can(*, small: bool = False) -> str:
"""Path to a GEANT4 CSV file for an empty can measurement.
SciCat:
- PID: ``20.500.12269/1a280698-aa5a-4cfb-bc4f-68fcd40462cc``
- URL: https://staging.scicat.ess.eu/datasets/20.500.12269%2F1a280698-aa5a-4cfb-bc4f-68fcd40462cc
**Container**:
- radius=0.006 m
- yheight=0.05 m
- material
reflections of powder from "V.laz" (McStas file)
incoherent process with sigma=4.935 barns, packing factor=1,
unit cell volume=27.66 angstrom^3
absorption of 36.73 1/m
Parameters
----------
small:
If True, return a smaller version of the data file, with randomly selected rows.
The small version of the file was created using the following code:
```python
import numpy as np
import pandas as pd
fname = dream.data.simulated_empty_can()
df = pd.read_csv(fname, sep='\t')
inds = np.sort(np.random.choice(len(df), 10_000, replace=False))
df.iloc[inds].to_csv('TEST_' + fname.split('/')[-1], sep='\t', index=False)
```
"""
prefix = "TEST_" if small else ""
return get_path(
"DREAM_simple_pwd_workflow/"
f"{prefix}data_dream_vana_container_sample_union.csv.zip"
)
[docs]
def simulated_monitor_diamond_sample() -> str:
"""Path to a Mcstas file for a monitor for the diamond measurement.
SciCat:
- PID: ``20.500.12269/d17b7169-b963-4b23-9455-d7332b992184``
- URL: https://staging.scicat.ess.eu/datasets/20.500.12269%2Fd17b7169-b963-4b23-9455-d7332b992184
This is the DREAM cave monitor for ``simulated_diamond_sample``.
"""
return get_path("DREAM_simple_pwd_workflow/Cave_TOF_Monitor_diam_in_can.dat")
[docs]
def simulated_monitor_vanadium_sample() -> str:
"""Path to a Mcstas file for a monitor for the vanadium measurement.
SciCat:
- PID: ``20.500.12269/b170848e-455e-4c43-8666-68e20f922326``
- URL: https://staging.scicat.ess.eu/datasets/20.500.12269%2Fb170848e-455e-4c43-8666-68e20f922326
This is the DREAM cave monitor for ``simulated_vanadium_sample``.
"""
return get_path("DREAM_simple_pwd_workflow/Cave_TOF_Monitor_vana_inc_coh.dat")
[docs]
def simulated_monitor_empty_can() -> str:
"""Path to a Mcstas file for a monitor for the empty can measurement.
SciCat:
- PID: ``20.500.12269/1a280698-aa5a-4cfb-bc4f-68fcd40462cc``
- URL: https://staging.scicat.ess.eu/datasets/20.500.12269%2F1a280698-aa5a-4cfb-bc4f-68fcd40462cc
This is the DREAM cave monitor for ``simulated_empty_can``.
"""
return get_path("DREAM_simple_pwd_workflow/Cave_TOF_Monitor_van_can.dat")
[docs]
def tof_lookup_table_high_flux() -> str:
"""Path to a HDF5 file containing a lookup table for high-flux ToF.
The table was created using the ``tof`` package and the chopper settings for the
DREAM instrument in high-resolution mode.
Note that the phase of the band-control chopper (BCC) was set to 240 degrees to
match that of the simulated data (this has since been found to be non-optimal as it
leads to time overlap between the two frames).
The notebook that was used to create the table can be found at
https://github.com/scipp/essdiffraction/blob/main/tools/dream-make-tof-lookup-table.ipynb
"""
return get_path("DREAM-high-flux-tof-lookup-table.h5")
