Move default database providers defaults setup parameters to one file (…

…#449)

Move default database providers defaults setup
parameters to one file.

- Change the Materials Cloud DB the groupings and the
  sub-DB name.
- Moving providers has no DB to skip list and keep disable list
  for not yet supported providers.

Co-authored-by: Casper Welzel Andersen <43357585+CasperWA@users.noreply.github.com>

optimade_client/default_parameters.py

@@ -0,0 +1,51 @@
+"""Default initialization parameters
+
+The lists are set, based on the status of providers from
+https://www.optimade.org/providers-dashboard/.
+
+If the provider has no available databases, it should be put into the SKIP_PROVIDERS list,
+meaning it will not be supported.
+Providers in the DISABLE_PROVIDERS list are ones the client should support,
+but cannot because of one issue or another.
+"""
+
+SKIP_PROVIDERS = [
+    "exmpl",
+    "optimade",
+    "aiida",
+    "ccpnc",
+    "matcloud",
+    "necro",
+    "httk",
+    "pcod",
+]
+
+DISABLE_PROVIDERS = [
+    "cod",
+    "tcod",
+    "nmd",
+    "oqmd",
+    "aflow",
+    "mpds",
+    "jarvis",
+]
+
+PROVIDER_DATABASE_GROUPINGS = {
+    "Materials Cloud": {
+        "Main Projects": ["mc3d", "mc2d"],
+        "Contributed Projects": [
+            "2dtopo",
+            "pyrene-mofs",
+            "scdm",
+            "stoceriaitf",
+            "tc-applicability",
+            "tin-antimony-sulfoiodide",
+            "curated-cofs",
+        ],
+    }
+}
+
+
+SKIP_DATABASE = {
+    "Materials Cloud": ["optimade-sample", "li-ion-conductors", "sssp"],
+}

optimade_client/query_provider.py

@@ -1,4 +1,4 @@
-from typing import Union, Tuple, List
+from typing import Union, Tuple, List, Dict, Optional
 import warnings
 
 import ipywidgets as ipw
@@ -11,6 +11,12 @@
     ProviderImplementationSummary,
 )
 from optimade_client.warnings import OptimadeClientWarning
+from optimade_client.default_parameters import (
+    PROVIDER_DATABASE_GROUPINGS,
+    SKIP_DATABASE,
+    SKIP_PROVIDERS,
+    DISABLE_PROVIDERS,
+)
 
 
 class OptimadeQueryProviderWidget(ipw.GridspecLayout):
@@ -28,9 +34,13 @@ class OptimadeQueryProviderWidget(ipw.GridspecLayout):
     def __init__(
         self,
         embedded: bool = False,
-        database_limit: int = None,
-        width_ratio: Union[Tuple[int, int], List[int]] = None,
-        width_space: int = None,
+        database_limit: Optional[int] = None,
+        width_ratio: Optional[Union[Tuple[int, int], List[int]]] = None,
+        width_space: Optional[int] = None,
+        disable_providers: Optional[List[str]] = None,
+        skip_providers: Optional[List[str]] = None,
+        skip_databases: Optional[List[str]] = None,
+        provider_database_groupings: Optional[Dict[str, Dict[str, List[str]]]] = None,
         **kwargs,
     ):
         # At the moment, the pagination does not work properly as each database is not tested for
@@ -39,11 +49,22 @@ def __init__(
         database_limit = (
             database_limit if database_limit and database_limit > 0 else 100
         )
+        disable_providers = disable_providers or DISABLE_PROVIDERS
+        skip_providers = skip_providers or SKIP_PROVIDERS
+        skip_databases = skip_databases or SKIP_DATABASE
+        provider_database_groupings = (
+            provider_database_groupings or PROVIDER_DATABASE_GROUPINGS
+        )
 
         layout = ipw.Layout(width="100%", height="auto")
 
         self.chooser = ProviderImplementationChooser(
-            child_db_limit=database_limit, **kwargs
+            child_db_limit=database_limit,
+            disable_providers=disable_providers,
+            skip_providers=skip_providers,
+            skip_databases=skip_databases,
+            provider_database_groupings=provider_database_groupings,
+            **kwargs,
         )
 
         self.summary = ProviderImplementationSummary(**kwargs) if not embedded else None

optimade_client/subwidgets/provider_database.py

@@ -36,25 +36,6 @@
 
 __all__ = ("ProviderImplementationChooser", "ProviderImplementationSummary")
 
-PROVIDER_DATABASE_GROUPINGS = {
-    "Materials Cloud": {
-        "General": sorted(["2dstructures", "curated-cofs"]),
-        "Projects": sorted(
-            [
-                "sssp",
-                "2dtopo",
-                "tc-applicability",
-                "threedd",
-                "scdm",
-                "stoceriaitf",
-                "pyrene-mofs",
-                "li-ion-conductors",
-            ]
-        ),
-        "Other": ["optimade-sample"],
-    }
-}
-
 
 class ProviderImplementationChooser(  # pylint: disable=too-many-instance-attributes
     ipw.VBox
@@ -84,11 +65,7 @@ def __init__(
             child_db_limit if child_db_limit and child_db_limit > 0 else 10
         )
         self.skip_child_dbs = skip_databases or {}
-        self.child_db_groupings = (
-            provider_database_groupings
-            if provider_database_groupings is not None
-            else PROVIDER_DATABASE_GROUPINGS
-        )
+        self.child_db_groupings = provider_database_groupings or {}
         self.offset = 0
         self.number = 1
         self.__perform_query = True