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feat(debye-nexus-structure): add first nexus template for debye

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gac-x01da
2025-06-20 09:15:39 +02:00
parent 29913cea61
commit 9be74da098
1 changed files with 78 additions and 7 deletions
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85
debye_bec/file_writer/debye_nexus_structure.py
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@@ -10,17 +10,88 @@ class DebyeNexusStructure(DefaultFormat):
entry.attrs["NX_class"] = "NXentry"
instrument = entry.create_group(name="instrument")
instrument.attrs["NX_class"] = "NXinstrument"
monochromator = instrument.create_group(name="monochromator")
# monochromator.attrs["NX_class"] = "NXmonochromator" -> to be checked
crystal = monochromator.create_group(name="crystal")
###################
## mo1_bragg specific information
###################
# Logic if device exist
if "mo_trx" in self.device_manager.devices:
if "mo1_bragg" in self.device_manager.devices:
monochromator = instrument.create_group(name="monochromator")
monochromator.attrs["NX_class"] = "NXmonochromator"
crystal = monochromator.create_group(name="crystal")
crystal.attrs["NX_class"] = "NXcrystal"
# Create a dataset
chemical_formular = crystal.create_dataset(name="chemical_formular", data='Si')
chemical_formular.attrs["NX_class"] = "NX_CHAR"
# Create a softlink
chemical_formular = crystal.create_soft_link(name="chemical_formular", target="/entry/collection/devices/mo_trx/mo_trx")
chemical_formular.attrs["NX_class"] = "NXdata"
d_spacing = crystal.create_soft_link(name="d_spacing", target="/entry/collection/devices/mo1_bragg/mo1_bragg_crystal_current_d_spacing/value")
d_spacing.attrs["NX_class"] = "NX_FLOAT"
offset = crystal.create_soft_link(name="offset", target="/entry/collection/devices/mo1_bragg/mo1_bragg_crystal_current_offset/value")
offset.attrs["NX_class"] = "NX_FLOAT"
reflection = crystal.create_soft_link(name="reflection", target="/entry/collection/devices/mo1_bragg/mo1_bragg_crystal_current_xtal_string/value")
reflection.attrs["NX_class"] = "NX_CHAR"
##################
## cm mirror specific information
###################
collimating_mirror = instrument.create_group(name="collimating_mirror")
collimating_mirror.attrs["NX_class"] = "NXmirror"
cm_substrate_material = collimating_mirror.create_dataset(name="substrate_material", data='Si')
cm_substrate_material.attrs["NX_class"] = "NX_CHAR"
cm_bending_radius = collimating_mirror.create_soft_link(name="sagittal radius", target="/entry/collection/devices/cm_bnd_radius/cm_bnd_radius/value")
cm_bending_radius.attrs["NX_class"] = "NX_FLOAT"
cm_bending_radius.attrs["units"] = 'km'
cm_incidence_angle = collimating_mirror.create_soft_link(name="incidence angle", target="/entry/collection/devices/cm_rotx/cm_rotx/value")
cm_incidence_angle.attrs["NX_class"] = "NX_FLOAT"
cm_yaw_angle = collimating_mirror.create_soft_link(name="incident angle", target="/entry/collection/devices/cm_roty/cm_roty/value")
cm_yaw_angle.attrs["NX_class"] = "NX_FLOAT"
##################
## fm mirror specific information
###################
focusing_mirror = instrument.create_group(name="focusing_mirror")
focusing_mirror.attrs["NX_class"] = "NXmirror"
fm_substrate_material = focusing_mirror.create_dataset(name="substrate_material", data='Si')
fm_substrate_material.attrs["NX_class"] = "NX_CHAR"
fm_bending_radius = focusing_mirror.create_soft_link(name="sagittal radius", target="/entry/collection/devices/fm_bnd_radius/fm_bnd_radius/value")
fm_bending_radius.attrs["NX_class"] = "NX_FLOAT"
fm_incidence_angle = focusing_mirror.create_soft_link(name="incidence angle", target="/entry/collection/devices/fm_incidence_angle/fm_incidence_angle/value")
fm_incidence_angle.attrs["NX_class"] = "NX_FLOAT"
fm_yaw_angle = focusing_mirror.create_soft_link(name="yaw angle", target="/entry/collection/devices/fm_roty/fm_roty/value")
fm_yaw_angle.attrs["NX_class"] = "NX_FLOAT"
fm_roll_angle = focusing_mirror.create_soft_link(name="roll angle", target="/entry/collection/devices/fm_rotz/fm_rotz/value")
fm_roll_angle.attrs["NX_class"] = "NX_FLOAT"
##################
## source specific information
###################
source = instrument.create_group(name="source")
source.attrs["NX_class"] = "NXsource"
beamline_name = source.create_dataset(name="beamline_name", data='Debye')
beamline_name.attrs["NX_class"] = "NX_CHAR"
facility_name = source.create_dataset(name="facility_name", data='Swiss Light Source')
facility_name.attrs["NX_class"] = "NX_CHAR"
probe = source.create_dataset(name="probe", data='X-ray')
probe.attrs["NX_class"] = "NX_CHAR"