crystal: Fixed .as_str readability

aimat-lab · Jul 1, 2024 · 2d2b92e · 2d2b92e
1 parent 3532412
commit 2d2b92e
Show file tree

Hide file tree

Showing 2 changed files with 4 additions and 5 deletions.
diff --git a/CrystalStructure/crystal/crystal.py b/CrystalStructure/crystal/crystal.py
@@ -131,7 +131,7 @@ def to_pymatgen(self) -> Structure:
     def as_str(self) -> str:
         the_dict = asdict(self)
         the_dict = {str(key) : str(value) for key, value in the_dict.items() if not isinstance(value, Structure)}
-        the_dict['atoms'] = f'{self.base[0]}, ...'
+        the_dict['base'] = f'{self.base[0]}, ...'
         return json.dumps(the_dict, indent='-')
 
     def __str__(self):

diff --git a/tests/t_base.py b/tests/t_base.py
@@ -1,11 +1,10 @@
-from CrystalStructure.crystal.atomic_site import AtomType
-
-from CrystalStructure.crystal import CrystalBase, AtomicSite
 from holytools.devtools import Unittest
-from pymatgen.core import Species
 
+from CrystalStructure.crystal import CrystalBase, AtomicSite
+from CrystalStructure.crystal.atomic_site import AtomType
 from CrystalStructure.examples import CrystalExamples
 
+
 # ---------------------------------------------------------
 
 class TestCrystalBase(Unittest):