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LeMonADE-project / LeMonADE

Library for Monte Carlo Simulation applying the Bond Fluctuation Model
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Das Meta information Feature #114

Open MartinWenge opened 4 years ago

MartinWenge commented 4 years ago

Add a Feature with commonly used metainformation keys for bfm Files.

tonimueller commented 3 years ago

Maybe we could write a monomer extension which provides a type specification of the monomer, e.g linear chain, cross linker, solvent, dendrimer, A-type, B-type. In the bfm file, one could then see which ID has which type and the corresponding feature explains with the metadata output that 0 corresponds to "linear chain".
Moreover this could be helpful for a "grouping by tag" where a functor could be implemented which sorts by the monomer type. In this manner, it is easy to get all cross-link IDs for further analyzes or all linear chains, also after the connection process (otherwise one could just use the sorting by connection in the unconnected state).