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Bugfix write config option #7

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merged 2 commits into from
Sep 20, 2024
Merged

Bugfix write config option #7

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1f9dbf5
Write config options correctly when there is no new line
fjclark Sep 20, 2024
bf0dc88
Update version and changelog
fjclark Sep 20, 2024
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2 changes: 1 addition & 1 deletion a3fe/_version.py
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Original file line number Diff line number Diff line change
@@ -1 +1 @@
__version__ = "0.1.2"
__version__ = "0.1.3"
7 changes: 7 additions & 0 deletions a3fe/read/_process_somd_files.py
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Expand Up @@ -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"
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5 changes: 5 additions & 0 deletions docs/CHANGELOG.rst
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Expand Up @@ -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
====================

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