ISISNeutronMuon / ISISNeutronMuon/MDMC

Add in ID setting for StructuralUnit

Open
#207 0 comments 0 reactions 0 assignees View on GitHub
enhancement P2
Dominant language
Python
Stars
4
Forks
0
Avg merge
2d 4h
Merged PRs (30d)
5

Description

**Is your feature request related to a problem? Please describe.**
Allow the ID of StructuralUnits to be set, so that when Trajectories are constructed, atoms and molecules can have the same ID when they are included in future Configurations.

Contributor guide

No contributing guide indexed for this repository

Research direction

Start by locating the Python definition of StructuralUnit and the code that constructs Trajectories and Configurations. Trace how IDs are currently assigned or preserved, then verify that an explicitly set StructuralUnit ID allows atoms and molecules to share an ID in future Configurations.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
backend
Issue type
Feature
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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