Merge pull request #7 from michellab/bugfix_write_config_option

Bugfix write config option

a3fe/_version.py

@@ -1 +1 @@
-__version__ = "0.1.2"
+__version__ = "0.1.3"

a3fe/read/_process_somd_files.py

@@ -68,7 +68,14 @@ def write_simfile_option(
             logger.warning(
                 f"Option {option} not found in simfile {simfile}. Appending new option to the end of the file."
             )
+
+        # First, ensure that the previous line terminates with a newline
+        # (Otherwise we'll end up adding the new option to the end of the previous line)
+        if lines[-1][-1] != "\n":
+            lines[-1] += "\n"
+
         lines.append(f"{option} = {value}\n")
+
     # Otherwise, replace the line with the new value
     else:
         lines[option_line_idx] = f"{option} = {value}\n"

docs/CHANGELOG.rst

@@ -2,6 +2,11 @@
 Change Log
 ===============
 
+0.1.3
+====================
+
+- Ensured that config options are written correctly when the template config file does not terminate in a new line. Previously, new options would be appended to the last line of the file if it did not end with \n, which could happen if the user manually edited the file.
+
 0.1.2
 ====================