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check for cg beads, include simulated names for molecules and constit… - #24

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jkalayan merged 1 commit into
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cg-sims
Aug 6, 2026
Merged

check for cg beads, include simulated names for molecules and constit…#24
jkalayan merged 1 commit into
mainfrom
cg-sims

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@jkalayan

@jkalayan jkalayan commented Aug 6, 2026

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…uent particles

Summary

  • Include common martini bead names to identify if a simulation is coarse-grained
  • Add simulated_particle_names and simulated_molecule_name extraction that maps to the schema
  • Update tests to include masses, masses are now required to defined a molecule type

@jkalayan
jkalayan merged commit f15d6d8 into main Aug 6, 2026
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jkalayan deleted the cg-sims branch August 6, 2026 12:43
@jkalayan

jkalayan commented Aug 6, 2026

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closes #23

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