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Revise of pynxtools and nexus parser #89

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Revise of pynxtools and nexus parser #89

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5 changes: 3 additions & 2 deletions src/nomad_measurements/xrd/readers.py
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Original file line number Diff line number Diff line change
Expand Up @@ -20,6 +20,7 @@
from typing import Dict, Any, TYPE_CHECKING
import numpy as np
from nomad.units import ureg
from pynxtools.dataconverter.convert import transfer_data_into_template

# from pynxtools.dataconverter.convert import transfer_data_into_template
from nomad_measurements.utils import (
Expand All @@ -34,8 +35,8 @@
)


def transfer_data_into_template(**kwargs):
raise NotImplementedError
# def transfer_data_into_template(**kwargs):
# raise NotImplementedError


def read_panalytical_xrdml(
Expand Down
10 changes: 6 additions & 4 deletions src/nomad_measurements/xrd/schema.py
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Original file line number Diff line number Diff line change
Expand Up @@ -59,7 +59,7 @@
PlotSection,
PlotlyFigure,
)
# from nomad.datamodel.metainfo.eln.nexus_data_converter import populate_nexus_subsection
from nomad.datamodel.metainfo.eln.nexus_data_converter import populate_nexus_subsection
from nomad_measurements import (
NOMADMeasurementsCategory,
)
Expand All @@ -79,8 +79,8 @@
m_package = Package(name='nomad_xrd')


def populate_nexus_subsection(**kwargs):
raise NotImplementedError
# def populate_nexus_subsection(**kwargs):
# raise NotImplementedError

def handle_nexus_subsection(
xrd_template: 'Template',
Expand Down Expand Up @@ -702,6 +702,7 @@ class ELNXRayDiffraction(XRayDiffraction, EntryData, PlotSection):
component=ELNComponentEnum.BoolEditQuantity,
label='Generate NeXus file',
),
default=True
)

def get_read_write_functions(self) -> tuple[Callable, Callable]:
Expand All @@ -714,7 +715,8 @@ def get_read_write_functions(self) -> tuple[Callable, Callable]:
if self.data_file.endswith('.rasx'):
return readers.read_rigaku_rasx, self.write_xrd_data
if self.data_file.endswith('.xrdml'):
return readers.read_panalytical_xrdml, self.write_xrd_data
return readers.read_nexus_xrd, self.write_nx_xrd
# return readers.read_panalytical_xrdml, self.write_xrd_data
if self.data_file.endswith('.brml'):
return readers.read_bruker_brml, self.write_xrd_data
return None, None
Expand Down
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