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[do not merge] Application definition and base classes for new NXxas #420

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ee04443
bring in application definition and base classes for new NXxas
Jan 27, 2026
c2a06ac
spellchecking
Jan 27, 2026
7a53271
code formatting according to newest black==26.1
Jan 27, 2026
16f5e35
fix issue with NXcollection
Feb 11, 2026
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665 changes: 331 additions & 334 deletions .cspell/custom-dictionary.txt
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58 changes: 58 additions & 0 deletions contributed_definitions/NXedge.nxdl.xml
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<?xml version="1.0" encoding="UTF-8"?>
<?xml-stylesheet type="text/xsl" href="nxdlformat.xsl" ?>
<!--
# NeXus - Neutron and X-ray Common Data Format
#
# Copyright (C) 2008-2022 NeXus International Advisory Committee (NIAC)
#
# This library is free software; you can redistribute it and/or
# modify it under the terms of the GNU Lesser General Public
# License as published by the Free Software Foundation; either
# version 3 of the License, or (at your option) any later version.
#
# This library is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
# Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public
# License along with this library; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
# For further information, see http://www.nexusformat.org
-->
<definition name="NXedge" type="group" extends="NXobject" category="base"
xmlns="http://definition.nexusformat.org/nxdl/3.1"
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd">
<doc>Absorption edge</doc>
<field name="name" type="NX_CHAR" minOccurs="1" maxOccurs="1">
<doc>
Name of the edge
</doc>
<enumeration>
<item value="K"></item>
<item value="L1"></item>
<item value="L2"></item>
<item value="L3"></item>
<item value="M1"></item>
<item value="M2"></item>
<item value="M3"></item>
<item value="M4"></item>
<item value="M5"></item>
<item value="N1"></item>
<item value="N2"></item>
<item value="N3"></item>
<item value="N4"></item>
<item value="N5"></item>
<item value="N6"></item>
<item value="N7"></item>
<item value="O1"></item>
<item value="O2"></item>
<item value="O3"></item>
<item value="P1"></item>
<item value="P2"></item>
<item value="P3"></item>
</enumeration>

</field>
</definition>
171 changes: 171 additions & 0 deletions contributed_definitions/NXelement.nxdl.xml
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<?xml version="1.0" encoding="UTF-8"?>
<?xml-stylesheet type="text/xsl" href="nxdlformat.xsl" ?>
<!--
# NeXus - Neutron and X-ray Common Data Format
#
# Copyright (C) 2008-2022 NeXus International Advisory Committee (NIAC)
#
# This library is free software; you can redistribute it and/or
# modify it under the terms of the GNU Lesser General Public
# License as published by the Free Software Foundation; either
# version 3 of the License, or (at your option) any later version.
#
# This library is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
# Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public
# License along with this library; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
# For further information, see http://www.nexusformat.org
-->
<definition
name="NXelement"
type="group"
extends="NXobject"
category="base"
xmlns="http://definition.nexusformat.org/nxdl/3.1"
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd"
>
<doc>Definition of a chemical element.</doc>
<field name="symbol" type="NX_CHAR" minOccurs="1" maxOccurs="1">
<doc>
For each symbol, the atomic number, common English name, and standard atomic weight are also given.
</doc>
<enumeration>
<item value="H"> <doc>Z=1, name="hydrogen", standard_atomic_weight=1.0078</doc> </item>
<item value="He"> <doc>Z=2, name="helium", standard_atomic_weight=4.0026</doc> </item>
<item value="Li"> <doc>Z=3, name="lithium", standard_atomic_weight=6.94</doc> </item>
<item value="Be"> <doc>Z=4, name="beryllium", standard_atomic_weight=9.0122</doc> </item>
<item value="B"> <doc>Z=5, name="boron", standard_atomic_weight=10.81</doc> </item>
<item value="C"> <doc>Z=6, name="carbon", standard_atomic_weight=12.011</doc> </item>
<item value="N"> <doc>Z=7, name="nitrogen", standard_atomic_weight=14.007</doc> </item>
<item value="O"> <doc>Z=8, name="oxygen", standard_atomic_weight=15.999</doc> </item>
<item value="F"> <doc>Z=9, name="fluorine", standard_atomic_weight=18.9984</doc> </item>
<item value="Ne"> <doc>Z=10, name="neon", standard_atomic_weight=20.1797</doc> </item>
<item value="Na"> <doc>Z=11, name="sodium", standard_atomic_weight=22.9898</doc> </item>
<item value="Mg"> <doc>Z=12, name="magnesium", standard_atomic_weight=24.305</doc> </item>
<item value="Al"> <doc>Z=13, name="aluminum", standard_atomic_weight=26.9815</doc> </item>
<item value="Si"> <doc>Z=14, name="silicon", standard_atomic_weight=28.085</doc> </item>
<item value="P"> <doc>Z=15, name="phosphorus", standard_atomic_weight=30.9738</doc> </item>
<item value="S"> <doc>Z=16, name="sulfur", standard_atomic_weight=32.06</doc> </item>
<item value="Cl"> <doc>Z=17, name="chlorine", standard_atomic_weight=35.453</doc> </item>
<item value="Ar"> <doc>Z=18, name="argon", standard_atomic_weight=39.948</doc> </item>
<item value="K"> <doc>Z=19, name="potassium", standard_atomic_weight=39.0983</doc> </item>
<item value="Ca"> <doc>Z=20, name="calcium", standard_atomic_weight=40.078</doc> </item>
<item value="Sc"> <doc>Z=21, name="scandium", standard_atomic_weight=44.9559</doc> </item>
<item value="Ti"> <doc>Z=22, name="titanium", standard_atomic_weight=47.867</doc> </item>
<item value="V"> <doc>Z=23, name="vanadium", standard_atomic_weight=50.9415</doc> </item>
<item value="Cr"> <doc>Z=24, name="chromium", standard_atomic_weight=51.996</doc> </item>
<item value="Mn"> <doc>Z=25, name="manganese", standard_atomic_weight=54.938</doc> </item>
<item value="Fe"> <doc>Z=26, name="iron", standard_atomic_weight=55.845</doc> </item>
<item value="Co"> <doc>Z=27, name="cobalt", standard_atomic_weight=58.9332</doc> </item>
<item value="Ni"> <doc>Z=28, name="nickel", standard_atomic_weight=58.6934</doc> </item>
<item value="Cu"> <doc>Z=29, name="copper", standard_atomic_weight=63.546</doc> </item>
<item value="Zn"> <doc>Z=30, name="zinc", standard_atomic_weight=65.38</doc> </item>
<item value="Ga"> <doc>Z=31, name="gallium", standard_atomic_weight=69.72</doc> </item>
<item value="Ge"> <doc>Z=32, name="germanium", standard_atomic_weight=72.63</doc> </item>
<item value="As"> <doc>Z=33, name="arsenic", standard_atomic_weight=74.9216</doc> </item>
<item value="Se"> <doc>Z=34, name="selenium", standard_atomic_weight=78.971</doc> </item>
<item value="Br"> <doc>Z=35, name="bromine", standard_atomic_weight=79.904</doc> </item>
<item value="Kr"> <doc>Z=36, name="krypton", standard_atomic_weight=83.798</doc> </item>
<item value="Rb"> <doc>Z=37, name="rubidium", standard_atomic_weight=85.4678</doc> </item>
<item value="Sr"> <doc>Z=38, name="strontium", standard_atomic_weight=87.62</doc> </item>
<item value="Y"> <doc>Z=39, name="yttrium", standard_atomic_weight=88.9058</doc> </item>
<item value="Zr"> <doc>Z=40, name="zirconium", standard_atomic_weight=91.224</doc> </item>
<item value="Nb"> <doc>Z=41, name="niobium", standard_atomic_weight=92.9064</doc> </item>
<item value="Mo"> <doc>Z=42, name="molybdenum", standard_atomic_weight=95.95</doc> </item>
<item value="Tc"> <doc>Z=43, name="technetium", standard_atomic_weight=97.907</doc> </item>
<item value="Ru"> <doc>Z=44, name="ruthenium", standard_atomic_weight=101.07</doc> </item>
<item value="Rh"> <doc>Z=45, name="rhodium", standard_atomic_weight=102.906</doc> </item>
<item value="Pd"> <doc>Z=46, name="palladium", standard_atomic_weight=106.42</doc> </item>
<item value="Ag"> <doc>Z=47, name="silver", standard_atomic_weight=107.868</doc> </item>
<item value="Cd"> <doc>Z=48, name="cadmium", standard_atomic_weight=112.414</doc> </item>
<item value="In"> <doc>Z=49, name="indium", standard_atomic_weight=114.818</doc> </item>
<item value="Sn"> <doc>Z=50, name="tin", standard_atomic_weight=118.71</doc> </item>
<item value="Sb"> <doc>Z=51, name="antimony", standard_atomic_weight=121.76</doc> </item>
<item value="Te"> <doc>Z=52, name="tellurium", standard_atomic_weight=127.6</doc> </item>
<item value="I"> <doc>Z=53, name="iodine", standard_atomic_weight=126.905</doc> </item>
<item value="Xe"> <doc>Z=54, name="xenon", standard_atomic_weight=131.293</doc> </item>
<item value="Cs"> <doc>Z=55, name="cesium", standard_atomic_weight=132.905</doc> </item>
<item value="Ba"> <doc>Z=56, name="barium", standard_atomic_weight=137.327</doc> </item>
<item value="La"> <doc>Z=57, name="lanthanum", standard_atomic_weight=138.905</doc> </item>
<item value="Ce"> <doc>Z=58, name="cerium", standard_atomic_weight=140.116</doc> </item>
<item value="Pr"> <doc>Z=59, name="praseodymium", standard_atomic_weight=140.908</doc> </item>
<item value="Nd"> <doc>Z=60, name="neodymium", standard_atomic_weight=144.242</doc> </item>
<item value="Pm"> <doc>Z=61, name="promethium", standard_atomic_weight=145.0</doc> </item>
<item value="Sm"> <doc>Z=62, name="samarium", standard_atomic_weight=150.36</doc> </item>
<item value="Eu"> <doc>Z=63, name="europium", standard_atomic_weight=151.96</doc> </item>
<item value="Gd"> <doc>Z=64, name="gadolinium", standard_atomic_weight=157.25</doc> </item>
<item value="Tb"> <doc>Z=65, name="terbium", standard_atomic_weight=158.925</doc> </item>
<item value="Dy"> <doc>Z=66, name="dysprosium", standard_atomic_weight=162.5</doc> </item>
<item value="Ho"> <doc>Z=67, name="holmium", standard_atomic_weight=164.93</doc> </item>
<item value="Er"> <doc>Z=68, name="erbium", standard_atomic_weight=167.259</doc> </item>
<item value="Tm"> <doc>Z=69, name="thulium", standard_atomic_weight=168.934</doc> </item>
<item value="Yb"> <doc>Z=70, name="ytterbium", standard_atomic_weight=173.045</doc> </item>
<item value="Lu"> <doc>Z=71, name="lutetium", standard_atomic_weight=174.967</doc> </item>
<item value="Hf"> <doc>Z=72, name="hafnium", standard_atomic_weight=178.49</doc> </item>
<item value="Ta"> <doc>Z=73, name="tantalum", standard_atomic_weight=180.948</doc> </item>
<item value="W"> <doc>Z=74, name="tungsten", standard_atomic_weight=183.84</doc> </item>
<item value="Re"> <doc>Z=75, name="rhenium", standard_atomic_weight=186.207</doc> </item>
<item value="Os"> <doc>Z=76, name="osmium", standard_atomic_weight=190.23</doc> </item>
<item value="Ir"> <doc>Z=77, name="iridium", standard_atomic_weight=192.217</doc> </item>
<item value="Pt"> <doc>Z=78, name="platinum", standard_atomic_weight=195.084</doc> </item>
<item value="Au"> <doc>Z=79, name="gold", standard_atomic_weight=196.967</doc> </item>
<item value="Hg"> <doc>Z=80, name="mercury", standard_atomic_weight=200.592</doc> </item>
<item value="Tl"> <doc>Z=81, name="thallium", standard_atomic_weight=204.383</doc> </item>
<item value="Pb"> <doc>Z=82, name="lead", standard_atomic_weight=207.2</doc> </item>
<item value="Bi"> <doc>Z=83, name="bismuth", standard_atomic_weight=208.98</doc> </item>
<item value="Po"> <doc>Z=84, name="polonium", standard_atomic_weight=209.0</doc> </item>
<item value="At"> <doc>Z=85, name="astatine", standard_atomic_weight=210.0</doc> </item>
<item value="Rn"> <doc>Z=86, name="radon", standard_atomic_weight=222.0</doc> </item>
<item value="Fr"> <doc>Z=87, name="francium", standard_atomic_weight=223.0</doc> </item>
<item value="Ra"> <doc>Z=88, name="radium", standard_atomic_weight=226.0</doc> </item>
<item value="Ac"> <doc>Z=89, name="actinium", standard_atomic_weight=227.0</doc> </item>
<item value="Th"> <doc>Z=90, name="thorium", standard_atomic_weight=232.038</doc> </item>
<item value="Pa"> <doc>Z=91, name="protactinium", standard_atomic_weight=231.036</doc> </item>
<item value="U"> <doc>Z=92, name="uranium", standard_atomic_weight=238.029</doc> </item>
<item value="Np"> <doc>Z=93, name="neptunium", standard_atomic_weight=237.048</doc> </item>
<item value="Pu"> <doc>Z=94, name="plutonium", standard_atomic_weight=239.052</doc> </item>
<item value="Am"> <doc>Z=95, name="americium", standard_atomic_weight=243.0</doc> </item>
<item value="Cm"> <doc>Z=96, name="curium", standard_atomic_weight=247.0</doc> </item>
<item value="Bk"> <doc>Z=97, name="berkelium", standard_atomic_weight=247.0</doc> </item>
<item value="Cf"> <doc>Z=98, name="californium", standard_atomic_weight=251.0</doc> </item>
<item value="Es"> <doc>Z=99, name="einsteinium", standard_atomic_weight=252</doc> </item>
<item value="Fm"> <doc>Z=100, name="fermium", standard_atomic_weight=257</doc> </item>
<item value="Md"> <doc>Z=101, name="mendelevium", standard_atomic_weight=258</doc> </item>
<item value="No"> <doc>Z=102, name="nobelium", standard_atomic_weight=259</doc> </item>
<item value="Lr"> <doc>Z=103, name="lawrencium", standard_atomic_weight=266</doc> </item>
<item value="Rf"> <doc>Z=104, name="rutherfordium", standard_atomic_weight=267</doc> </item>
<item value="Db"> <doc>Z=105, name="dubnium", standard_atomic_weight=268</doc> </item>
<item value="Sg"> <doc>Z=106, name="seaborgium", standard_atomic_weight=269</doc> </item>
<item value="Bh"> <doc>Z=107, name="bohrium", standard_atomic_weight=270</doc> </item>
<item value="Hs"> <doc>Z=108, name="hassium", standard_atomic_weight=269</doc> </item>
<item value="Mt"> <doc>Z=109, name="meitnerium", standard_atomic_weight=278</doc> </item>
<item value="Ds"> <doc>Z=110, name="darmstadtium", standard_atomic_weight=281</doc> </item>
<item value="Rg"> <doc>Z=111, name="roentgenium", standard_atomic_weight=282</doc> </item>
<item value="Cn"> <doc>Z=112, name="copernicium", standard_atomic_weight=285</doc> </item>
<item value="Nh"> <doc>Z=113, name="nihonium", standard_atomic_weight=286</doc> </item>
<item value="Fl"> <doc>Z=114, name="flerovium", standard_atomic_weight=289</doc> </item>
<item value="Mc"> <doc>Z=115, name="moscovium", standard_atomic_weight=290</doc> </item>
<item value="Lv"> <doc>Z=116, name="livermorium", standard_atomic_weight=293</doc> </item>
<item value="Ts"> <doc>Z=117, name="tennessine", standard_atomic_weight=294</doc> </item>
<item value="Og"> <doc>Z=118, name="oganesson", standard_atomic_weight=294</doc> </item>
</enumeration>
</field>
<field name="atomic_number" type="NX_INT" optional="true">
<doc>The charge number *Z* of the atomic nucleus.</doc>
</field>
<field name="atomic_weight" type="NX_FLOAT" units="NX_MASS" optional="true">
<doc>
*Relative atomic mass* of the element in *amu*. It can be but is not restricted to the
*standard atomic weight* (using the natural abundance of isotopes).
</doc>
</field>
<field name="oxidation_state" type="NX_CHAR" optional="true">
<doc>The charge of the atom after ionic approximation of its heteronuclear bonds.</doc>
</field>
</definition>
46 changes: 46 additions & 0 deletions contributed_definitions/NXemission_lines.nxdl.xml
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<?xml version="1.0" encoding="UTF-8"?>
<?xml-stylesheet type="text/xsl" href="nxdlformat.xsl" ?>
<!--
# NeXus - Neutron and X-ray Common Data Format
#
# Copyright (C) 2008-2022 NeXus International Advisory Committee (NIAC)
#
# This library is free software; you can redistribute it and/or
# modify it under the terms of the GNU Lesser General Public
# License as published by the Free Software Foundation; either
# version 3 of the License, or (at your option) any later version.
#
# This library is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
# Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public
# License along with this library; if not, write to the Free Software
# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
#
# For further information, see http://www.nexusformat.org
-->
<definition name="NXemission_lines" type="group" extends="NXobject" category="base"
xmlns="http://definition.nexusformat.org/nxdl/3.1"
xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd">
<doc>Emission lines</doc>
<field name="name" type="NX_CHAR">
<doc>
The emission lines are written using the IUPAC notation, i.e. an
initial and final edge separated by a hyphen.

TODO: Extend the enumeration to include all possible emission lines.
</doc>
<enumeration>
<item value="K-L1"></item>
<item value="K-L2"></item>
<item value="K-L3"></item>
<item value="K-M1"></item>
<item value="K-M2"></item>
<item value="K-M3"></item>
<item value="K-M4"></item>
<item value="K-M5"></item>
</enumeration>
</field>
</definition>
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