added a TODO for the xyz parsing bug #102

mcocdawc · Jan 7, 2025 · b20af58 · b20af58
1 parent c56c6ed
commit b20af58
Showing 1 changed file with 1 addition and 0 deletions.
diff --git a/src/chemcoord/cartesian_coordinates/_cartesian_class_io.py b/src/chemcoord/cartesian_coordinates/_cartesian_class_io.py
@@ -173,6 +173,7 @@ def read_xyz(cls, buf, start_index=0, get_bonds=True,
                             nrows=nrows, sep=r'\s+',
                             names=['atom', 'x', 'y', 'z'], engine=engine)
 
+        # TODO explicitly cast to float
         remove_digits = partial(re.sub, r'[0-9]+', '')
         frame['atom'] = frame['atom'].apply(
             lambda x: remove_digits(x).capitalize())