Merge pull request #52 from FAIRmat-NFDI/mpes-refactor

NXmpes refactoring
FAIRmat-NFDI · Jan 15, 2024 · 7977c7e · 7977c7e
2 parents 64ddaf6 + 5ea63b4
commit 7977c7e
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Showing 46 changed files with 9,107 additions and 2,001 deletions.
diff --git a/base_classes/NXdata.nxdl.xml b/base_classes/NXdata.nxdl.xml
diff --git a/base_classes/NXdetector.nxdl.xml b/base_classes/NXdetector.nxdl.xml
@@ -8,7 +8,7 @@
 # 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 2 of the License, or (at your option) any later version.
+# 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
@@ -72,14 +72,12 @@
         <dimensions rank="1">
             <dim index="1" value="tof+1"/>
         </dimensions>
-        <attribute name="axis" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436
-">
+        <attribute name="axis" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436">
             <enumeration>
                 <item value="3"/>
             </enumeration>
         </attribute>
-        <attribute name="primary" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436
-">
+        <attribute name="primary" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436">
             <enumeration>
                 <item value="1"/>
             </enumeration>
@@ -173,14 +171,12 @@
             <dim index="1" value="i"/>
             <dim index="2" value="j"/>
         </dimensions>
-        <attribute name="axis" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436
-">
+        <attribute name="axis" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436">
             <enumeration>
                 <item value="1"/>
             </enumeration>
         </attribute>
-        <attribute name="primary" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436
-">
+        <attribute name="primary" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436">
             <enumeration>
                 <item value="1"/>
             </enumeration>
@@ -200,14 +196,12 @@
             <dim index="1" value="i"/>
             <dim index="2" value="j"/>
         </dimensions>
-        <attribute name="axis" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436
-">
+        <attribute name="axis" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436">
             <enumeration>
                 <item value="2"/>
             </enumeration>
         </attribute>
-        <attribute name="primary" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436
-">
+        <attribute name="primary" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436">
             <enumeration>
                 <item value="1"/>
             </enumeration>
@@ -227,14 +221,12 @@
             <dim index="1" value="i"/>
             <dim index="2" value="j"/>
         </dimensions>
-        <attribute name="axis" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436
-">
+        <attribute name="axis" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436">
             <enumeration>
                 <item value="3"/>
             </enumeration>
         </attribute>
-        <attribute name="primary" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436
-">
+        <attribute name="primary" type="NX_POSINT" deprecated="see: https://github.com/nexusformat/definitions/issues/436">
             <enumeration>
                 <item value="1"/>
             </enumeration>
@@ -973,6 +965,7 @@
              Number of raw active elements in each dimension. Important for swept scans.
         </doc>
     </field>
+    <group type="NXfabrication"/>
     <group type="NXdata">
         <doc>
              raw data output from the detector

diff --git a/base_classes/NXenvironment.nxdl.xml b/base_classes/NXenvironment.nxdl.xml
@@ -1,10 +1,10 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<?xml-stylesheet type="text/xsl" href="nxdlformat.xsl" ?>
+<?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)
-# 
+#
+# Copyright (C) 2014-2024 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
@@ -21,26 +21,36 @@
 #
 # For further information, see http://www.nexusformat.org
 -->
-<definition xmlns="http://definition.nexusformat.org/nxdl/3.1" category="base"
-    xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
-    xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd"
-    name="NXenvironment" 
-	type="group" extends="NXobject">
-    <doc>Parameters for controlling external conditions</doc>
+<definition xmlns="http://definition.nexusformat.org/nxdl/3.1" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" category="base" type="group" name="NXenvironment" extends="NXobject" xsi:schemaLocation="http://definition.nexusformat.org/nxdl/3.1 ../nxdl.xsd">
+    <doc>
+         Parameters for controlling external conditions
+    </doc>
     <field name="name">
-        <doc>Apparatus identification code/model number; e.g. OC100 011</doc>
+        <doc>
+             Apparatus identification code/model number; e.g. OC100 011
+        </doc>
     </field>
     <field name="short_name">
-        <doc>Alternative short name, perhaps for dashboard display like a present Seblock name</doc>
+        <doc>
+             Alternative short name, perhaps for dashboard display like a present Seblock
+             name
+        </doc>
     </field>
     <field name="type">
-        <doc>Type of apparatus. This could be the SE codes in scheduling database; e.g. OC/100</doc>
+        <doc>
+             Type of apparatus. This could be the SE codes in scheduling database; e.g.
+             OC/100
+        </doc>
     </field>
     <field name="description">
-        <doc>Description of the apparatus; e.g. 100mm bore orange cryostat with Roots pump</doc>
+        <doc>
+             Description of the apparatus; e.g. 100mm bore orange cryostat with Roots pump
+        </doc>
     </field>
     <field name="program">
-        <doc>Program controlling the apparatus; e.g. LabView VI name</doc>
+        <doc>
+             Program controlling the apparatus; e.g. LabView VI name
+        </doc>
     </field>
     <group name="position" type="NXgeometry">
         <doc>
@@ -50,25 +60,37 @@
     </group>
     <field name="depends_on" type="NX_CHAR">
         <doc>
-            NeXus positions components by applying a set of translations and rotations
-            to apply to the component starting from 0, 0, 0. The order of these operations
-            is critical and forms what NeXus calls a dependency chain. The depends_on
-            field defines the path to the top most operation of the dependency chain or the
-            string "." if located in the origin. Usually these operations are stored in a
-            NXtransformations group. But NeXus allows them to be stored anywhere.
+             NeXus positions components by applying a set of translations and rotations
+             to apply to the component starting from 0, 0, 0. The order of these operations
+             is critical and forms what NeXus calls a dependency chain. The depends_on
+             field defines the path to the top most operation of the dependency chain or the
+             string "." if located in the origin. Usually these operations are stored in a
+             NXtransformations group. But NeXus allows them to be stored anywhere.
         </doc>
     </field>
     <group type="NXtransformations" minOccurs="0">
         <doc>
-            This is the group recommended for holding the chain of translation
-            and rotation operations necessary to position the component within
-            the instrument. The dependency chain may however traverse similar groups in
-            other component groups.
+             This is the group recommended for holding the chain of translation
+             and rotation operations necessary to position the component within
+             the instrument. The dependency chain may however traverse similar groups in
+             other component groups.
         </doc>
     </group>
     <group type="NXnote">
-        <doc>Additional information, LabView logs, digital photographs, etc</doc>
+        <doc>
+             Additional information, LabView logs, digital photographs, etc
+        </doc>
+    </group>
+    <group type="NXactuator">
+        <doc>
+             Any actuator used to control the environment. This can be linked to an actuator
+             defined in an NXinstrument instance.
+        </doc>
+    </group>
+    <group type="NXsensor">
+        <doc>
+             Any sensor used to monitor the environment. This can be linked to a sensor
+             defined in an NXinstrument instance.
+        </doc>
     </group>
-    <group type="NXsensor"/>
 </definition>
-
diff --git a/base_classes/NXinstrument.nxdl.xml b/base_classes/NXinstrument.nxdl.xml
@@ -1,10 +1,10 @@
-<?xml version="1.0" encoding="UTF-8"?>
+<?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) 2014-2022 NeXus International Advisory Committee (NIAC)
-# 
+#
+# Copyright (C) 2014-2024 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
@@ -42,31 +42,7 @@
             </doc>
         </attribute>
     </field>
-    <field name="energy_resolution" type="NX_FLOAT" units="NX_ENERGY">
-        <doc>
-             Energy resolution of the experiment (FWHM or gaussian broadening)
-        </doc>
-    </field>
-    <field name="momentum_resolution" type="NX_FLOAT" units="NX_WAVENUMBER">
-        <doc>
-             Momentum resolution of the experiment (FWHM)
-        </doc>
-    </field>
-    <field name="angular_resolution" type="NX_FLOAT" units="NX_ANGLE">
-        <doc>
-             Angular resolution of the experiment (FWHM)
-        </doc>
-    </field>
-    <field name="spatial_resolution" type="NX_FLOAT" units="NX_LENGTH">
-        <doc>
-             Spatial resolution of the experiment (Airy disk radius)
-        </doc>
-    </field>
-    <field name="temporal_resolution" type="NX_FLOAT" units="NX_TIME">
-        <doc>
-             Temporal resolution of the experiment (FWHM)
-        </doc>
-    </field>
+    <group type="NXactuator"/>
     <group type="NXaperture"/>
     <group type="NXattenuator"/>
     <group type="NXbeam"/>
@@ -80,6 +56,7 @@
     <group type="NXdetector_group"/>
     <group type="NXdisk_chopper"/>
     <group type="NXevent_data"/>
+    <group type="NXfabrication"/>
     <group type="NXfermi_chopper"/>
     <group type="NXfilter"/>
     <group type="NXflipper"/>
@@ -90,6 +67,8 @@
     <group type="NXmonochromator"/>
     <group type="NXpolarizer"/>
     <group type="NXpositioner"/>
+    <group type="NXsensor"/>
+    <group type="NXresolution"/>
     <group type="NXsource"/>
     <group type="NXtransformations" name="DIFFRACTOMETER"/>
     <group type="NXvelocity_selector"/>

diff --git a/base_classes/NXsample.nxdl.xml b/base_classes/NXsample.nxdl.xml
@@ -486,6 +486,12 @@
              This group describes the shape of the sample
         </doc>
     </group>
+    <field name="physical_form">
+        <doc>
+             Physical form of the sample material.
+             Examples include single crystal, foil, pellet, powder, thin film, disc, foam, gas, liquid, amorphous.
+        </doc>
+    </field>
     <group type="NXsingle_crystal">
         <doc>
              If the sample is a single crystal, add description of single crystal and unit