Fix some miscellaneous issues breaking expectations/tests

oerc0122 · Nov 28, 2024 · b94edfd · b94edfd
1 parent 4259ec3
commit b94edfd
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Showing 4 changed files with 36 additions and 23 deletions.
diff --git a/castep_outputs/cli/args.py b/castep_outputs/cli/args.py
@@ -61,7 +61,7 @@ def parse_args(to_parse: Sequence[str] = ()) -> argparse.Namespace:
 
     Examples
     --------
-    >>> parse_args()
+    parse_args()
     """
     args = ARG_PARSER.parse_args()
 

diff --git a/castep_outputs/cli/castep_outputs_main.py b/castep_outputs/cli/castep_outputs_main.py
@@ -125,6 +125,7 @@ def parse_all(
     elif isinstance(output, io.TextIOBase):
         file_dumper(data, output)
     else:
+        output = Path(output)
         with output.open("a+", encoding="utf-8") as out_file:
             file_dumper(data, out_file)
 

diff --git a/castep_outputs/parsers/__init__.py b/castep_outputs/parsers/__init__.py
@@ -24,26 +24,28 @@
 from .ts_file_parser import parse_ts_file
 from .xrd_sf_file_parser import parse_xrd_sf_file
 
-__all__ = ["parse_castep_file",
-           "parse_cell_param_file",
-           "parse_cell_param_file",
-           "parse_md_geom_file",
-           "parse_md_geom_file",
-           "parse_bands_file",
-           "parse_hug_file",
-           "parse_phonon_dos_file",
-           "parse_efield_file",
-           "parse_xrd_sf_file",
-           "parse_elf_fmt_file",
-           "parse_chdiff_fmt_file",
-           "parse_pot_fmt_file",
-           "parse_den_fmt_file",
-           "parse_elastic_file",
-           "parse_ts_file",
-           "parse_magres_file",
-           "parse_tddft_file",
-           "parse_err_file",
-           "parse_phonon_file"]
+__all__ = [
+    "parse_bands_file",
+    "parse_castep_file",
+    "parse_cell_param_file",
+    "parse_cell_param_file",
+    "parse_chdiff_fmt_file",
+    "parse_den_fmt_file",
+    "parse_efield_file",
+    "parse_elastic_file",
+    "parse_elf_fmt_file",
+    "parse_err_file",
+    "parse_hug_file",
+    "parse_magres_file",
+    "parse_md_geom_file",
+    "parse_md_geom_file",
+    "parse_phonon_dos_file",
+    "parse_phonon_file",
+    "parse_pot_fmt_file",
+    "parse_tddft_file",
+    "parse_ts_file",
+    "parse_xrd_sf_file",
+]
 
 
 #: Dictionary of available parsers.

diff --git a/castep_outputs/utilities/filewrapper.py b/castep_outputs/utilities/filewrapper.py
@@ -114,7 +114,7 @@ def get_lines(
             *,
             eof_possible: bool = False,
     ) -> Block:
-        """
+        r"""
         Read the next `n_lines` from `in_file` and return the block.
 
         Parameters
@@ -133,14 +133,24 @@ def get_lines(
         ------
         IOError
             If EOF reached and ``not eof_possible``.
+
+        Examples
+        --------
+        >>> from io import StringIO
+        >>> x = StringIO('Hello\nThere\nFriend')
+        >>> block = Block.get_lines(x, 2)
+        >>> type(block).__name__
+        'Block'
+        >>> block.aslist()
+        ['Hello\n', 'There\n']
         """
         block = cls(in_file)
 
         data: list[str] = []
         for i, line in enumerate(in_file, 1):
             if i > n_lines:
                 break
-            data += line
+            data.append(line)
         else:
             if not eof_possible:
                 if hasattr(in_file, "name"):