update schema

FAIRmat-NFDI · Oct 15, 2024 · 8d2e214 · 8d2e214
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Showing 28 changed files with 60 additions and 82 deletions.
diff --git a/notebooks/arise.archive.json b/notebooks/arise.archive.json
@@ -34,7 +34,7 @@
         "name": "SOAP"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Grain boundaries"
       },

diff --git a/notebooks/atomic-features.archive.json b/notebooks/atomic-features.archive.json
@@ -10,7 +10,7 @@
         "name": ""
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Atoms"
       }

diff --git a/notebooks/clustering-tutorial.archive.json b/notebooks/clustering-tutorial.archive.json
@@ -25,7 +25,7 @@
         "name": "HDBSCAN"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Synthetic data"
       }

diff --git a/notebooks/cmlkit.archive.json b/notebooks/cmlkit.archive.json
@@ -25,7 +25,7 @@
         "name": "Symmetry functions"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Transparent conducting oxides"
       }

diff --git a/notebooks/co2-sgd-tutorial.archive.json b/notebooks/co2-sgd-tutorial.archive.json
@@ -13,7 +13,7 @@
         "name": "Decision tree"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "CO2 activation"
       },

diff --git a/notebooks/compressed-sensing.archive.json b/notebooks/compressed-sensing.archive.json
@@ -34,7 +34,7 @@
         "name": "Atomic features"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Octet binaries"
       }

diff --git a/notebooks/convolutional-nn.archive.json b/notebooks/convolutional-nn.archive.json
@@ -22,7 +22,7 @@
         "name": "Attentive response map"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Images"
       }

diff --git a/notebooks/decision-tree.archive.json b/notebooks/decision-tree.archive.json
@@ -28,7 +28,7 @@
         "name": "Atomic features"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Images"
       },

diff --git a/notebooks/descriptor-role.archive.json b/notebooks/descriptor-role.archive.json
@@ -22,7 +22,7 @@
         "name": "Atomic features"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Octet binaries"
       },

diff --git a/notebooks/domain-of-applicability.archive.json b/notebooks/domain-of-applicability.archive.json
@@ -28,7 +28,7 @@
         "name": "n-gram"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Transparent conducting oxides"
       }

diff --git a/notebooks/dos-similarity-search.archive.json b/notebooks/dos-similarity-search.archive.json
@@ -13,7 +13,7 @@
         "name": "Fingerprint"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Binaries"
       },

diff --git a/notebooks/error-estimates.archive.json b/notebooks/error-estimates.archive.json
@@ -16,7 +16,7 @@
         "name": "Linear least-squares regression"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Binaries"
       },

diff --git a/notebooks/exploratory-analysis.archive.json b/notebooks/exploratory-analysis.archive.json
@@ -37,7 +37,7 @@
         "name": "MDS"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Octet binaries"
       }

diff --git a/notebooks/gap-si-surface.archive.json b/notebooks/gap-si-surface.archive.json
@@ -25,7 +25,7 @@
         "name": "Gaussian approximation potentials (GAP)"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Silicon"
       },

diff --git a/notebooks/grain-boundaries.archive.json b/notebooks/grain-boundaries.archive.json
@@ -25,7 +25,7 @@
         "name": "Gaussian mixture"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Iron"
       },

diff --git a/notebooks/hierarchical-sisso.archive.json b/notebooks/hierarchical-sisso.archive.json
@@ -28,7 +28,7 @@
         "name": "Atomic features"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Bulk properties"
       },

diff --git a/notebooks/kaggle-competition.archive.json b/notebooks/kaggle-competition.archive.json
@@ -25,7 +25,7 @@
         "name": "n-gram"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Transparent conducting oxides"
       }

diff --git a/notebooks/krr4mat.archive.json b/notebooks/krr4mat.archive.json
@@ -19,7 +19,7 @@
         "name": "SOAP"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Transparent conducting oxides"
       }

diff --git a/notebooks/nn-regression.archive.json b/notebooks/nn-regression.archive.json
@@ -22,7 +22,7 @@
         "name": "Atomic features"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Inorganic compounds"
       },

diff --git a/notebooks/perovskite-tolerance-factor.archive.json b/notebooks/perovskite-tolerance-factor.archive.json
@@ -31,7 +31,7 @@
         "name": "Atomic features"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Perovskites"
       }

diff --git a/notebooks/query-nomad-archive.archive.json b/notebooks/query-nomad-archive.archive.json
@@ -25,7 +25,7 @@
         "name": "Random forest"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Ternaries"
       }

diff --git a/notebooks/sgd-alloys-oxygen-reduction-evolution.archive.json b/notebooks/sgd-alloys-oxygen-reduction-evolution.archive.json
@@ -13,7 +13,7 @@
         "name": "Decision tree"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Heterogeneous catalysis"
       },

diff --git a/notebooks/sgd-propylene-oxidation-hte.archive.json b/notebooks/sgd-propylene-oxidation-hte.archive.json
@@ -10,7 +10,7 @@
         "name": "Subgroup discovery"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Heterogeneous catalysis"
       }

diff --git a/notebooks/soap-atomic-charges.archive.json b/notebooks/soap-atomic-charges.archive.json
@@ -22,7 +22,7 @@
         "name": "SOAP"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "GDB molecular database"
       },

diff --git a/notebooks/tcmi.archive.json b/notebooks/tcmi.archive.json
@@ -31,7 +31,7 @@
         "name": "TCMI"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Synthetic data"
       },

diff --git a/notebooks/tetradymite-PRM2020.archive.json b/notebooks/tetradymite-PRM2020.archive.json
@@ -25,7 +25,7 @@
         "name": "SISSO"
       }
     ],
-    "systems": [
+    "applications": [
       {
         "name": "Tetradymites"
       },

diff --git a/notebooks/tutorial_stats.ipynb b/notebooks/tutorial_stats.ipynb
@@ -341,7 +341,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 11,
+   "execution_count": 12,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -354,7 +354,7 @@
     "\n",
     "        'category': map_categories[tutorial['labels']['category'][0]],\n",
     "        'methods': [ {'name': v } for v in tutorial['labels']['ai_methods'] ],\n",
-    "        'application': [ {'name': v } for v in tutorial['labels']['application_system'] ],\n",
+    "        'applications': [ {'name': v } for v in tutorial['labels']['application_system'] ],\n",
     "        'platform': 'Python'\n",
     "    }\n",
     "\n",

diff --git a/src/nomad_aitoolkit/apps/__init__.py b/src/nomad_aitoolkit/apps/__init__.py
@@ -2,11 +2,9 @@
 from nomad.config import _plugins
 from nomad.config.models.plugins import AppEntryPoint
 from nomad.config.models.ui import (
-    AlignEnum,
     App,
     BreakpointEnum,
     Column,
-    Columns,
     Dashboard,
     FilterMenu,
     FilterMenus,
@@ -15,7 +13,6 @@
     Format,
     Layout,
     ModeEnum,
-    RowActions,
     RowActionURL,
     RowDetails,
     Rows,
@@ -60,42 +57,26 @@
             # exclude=['*#nomad.datamodel.metainfo.eln.BasicEln'],
         ),
         filters_locked=filters_locked,
-        columns=Columns(
-            include=[
-                'entry_id',
-                'entry_type',
-                'authors',
-                'data.name#nomad_aitoolkit.schema.AIToolkitNotebook',
-                'data.category#nomad_aitoolkit.schema.AIToolkitNotebook',
-                'data.platform#nomad_aitoolkit.schema.AIToolkitNotebook',
-                'data.date#nomad_aitoolkit.schema.AIToolkitNotebook',
-            ],
-            selected=[
-                'data.name#nomad_aitoolkit.schema.AIToolkitNotebook',
-                'authors',
-                'data.category#nomad_aitoolkit.schema.AIToolkitNotebook',
-                'data.date#nomad_aitoolkit.schema.AIToolkitNotebook',
-            ],
-            options={
-                'entry_id': Column(),
-                'entry_type': Column(label='Entry type', align=AlignEnum.LEFT),
-                'authors': Column(label='Authors', align=AlignEnum.LEFT),
-                'data.name#nomad_aitoolkit.schema.AIToolkitNotebook': Column(
-                    label='Name', align=AlignEnum.LEFT
-                ),
-                'data.category#nomad_aitoolkit.schema.AIToolkitNotebook': Column(
-                    label='Category'
-                ),
-                'data.platform#nomad_aitoolkit.schema.AIToolkitNotebook': Column(
-                    label='Platform', align=AlignEnum.LEFT
-                ),
-                'data.date#nomad_aitoolkit.schema.AIToolkitNotebook': Column(
-                    label='Last update',
-                    align=AlignEnum.LEFT,
-                    format=Format(mode=ModeEnum.DATE),
-                ),
-            },
-        ),
+        columns=[
+            Column(
+                quantity='data.name#nomad_aitoolkit.schema.AIToolkitNotebook',
+                selected=True,
+            ),
+            Column(
+                quantity='data.category#nomad_aitoolkit.schema.AIToolkitNotebook',
+                selected=True,
+            ),
+            Column(
+                quantity='data.date#nomad_aitoolkit.schema.AIToolkitNotebook',
+                label='Upload time',
+                selected=True,
+                format=Format(mode=ModeEnum.DATE),
+            ),
+            Column(quantity='entry_id'),
+            Column(quantity='entry_type'),
+            Column(quantity='authors'),
+            Column(quantity='data.platform#nomad_aitoolkit.schema.AIToolkitNotebook'),
+        ],
         filter_menus=FilterMenus(
             options={
                 'custom_quantities': FilterMenu(
@@ -148,21 +129,18 @@
             ]
         ),
         rows=Rows(
-            actions=RowActions(
-                enabled=True,
-                options={
-                    'launch': RowActionURL(
-                        type='url',
-                        path="data.references[?kind=='hub'].uri",
-                        description='Launch Jupyter notebook',
-                    ),
-                    'repository': RowActionURL(
-                        type='downloadurl',
-                        path="data.references[?kind=='repository'].uri",
-                        description='Link to the repository',
-                    ),
-                },
-            ),
+            actions=[
+                RowActionURL(
+                    path="data.references[?kind=='repository'].uri",
+                    description='Go to the repository',
+                    icon='file_download',
+                ),
+                RowActionURL(
+                    path="data.references[?kind=='hub'].uri",
+                    description='Launch Jupyter notebook',
+                    icon='launch',
+                ),
+            ],
             details=RowDetails(enabled=True),
             selection=RowSelection(enabled=True),
         ),