Comments of merged topology files are not preserved

MolarVerse / PQAnalysis

PQAnalysis is a API/CLI python package for the analysis of MD simulations

https://molarverse.github.io/PQAnalysis/

MIT License

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Comments of merged topology files are not preserved #92

Closed Lucky-Armin closed 4 months ago

Lucky-Armin commented 4 months ago

When I use the add_molecules CLI tool to add a topology file to the topology file of the original .rst file the comments which I added in the creation of the file are not included. It would be a nifty feature to preserve the comments for the respective lines.

97gamjak commented 4 months ago

This feature will be available within the next sub-release i.e. v1.1