fix #26

.jshintrc

@@ -1,5 +1,6 @@
 {
   "esversion": 8,
   "globalstrict": true,
-  "browser" : true
+  "browser": true,
+  "node": true
 }

cp2k_basis/pseudopotential.py

@@ -178,6 +178,14 @@ def read_hdf5(cls, symbol: str, group: h5py.Group) -> 'AtomicPseudopotentialVari
 
         return obj
 
+    def preferred_name(self, family_name: str, variant: str) -> str:
+        """Even though they can have multiple name, 'ALL' pseudo should be referred to as `ALL`.
+        """
+        if family_name == 'ALL':
+            return 'ALL'
+        else:
+            return super().preferred_name(family_name, variant)
+
 
 class AtomicPseudopotential(BaseAtomicDataObject):
     object_type = AtomicPseudopotentialVariant

tests/tests_pseudopotential.py

@@ -113,3 +113,26 @@ def test_storage_dump_hdf5_ok(self):
                             'q{}'.format(sum(storage[pp_name][symbol][variant].nelec)),
                             variant
                         )
+
+    def test_preferred_name_ok(self):
+        app1 = self.storage['GTH-BLYP']['Ne']['q8']
+        self.assertEqual(app1.preferred_name('GTH-BLYP', 'q8'), 'GTH-BLYP-q8')
+
+    def test_preferred_name_all_ok(self):
+        name = 'ALL'
+        storage = PseudopotentialsStorage()
+
+        filter_name = FilterUnique([(re.compile(r'^({})$'.format(name)), '\\1')])  # ALL!
+
+        with (pathlib.Path(__file__).parent / 'POTENTIAL_ALL_EXAMPLE').open() as f:
+            storage.update(
+                AtomicPseudopotentialsParser(f.read()).iter_atomic_pseudopotential_variants(),
+                filter_name,
+                self.filter_variant
+            )
+
+        app1 = storage['ALL']['H']['q1']
+        self.assertEqual(app1.names, ['ALLELECTRON', 'ALL'])
+
+        # although "ALLELECTRON" would be choosen, "ALL" is actually selected
+        self.assertEqual(app1.preferred_name('ALL', 'q1'), 'ALL')