Opened 9 years ago
Last modified 8 years ago
#466 assigned defect
Use map for CoordSets — at Initial Version
| Reported by: | Tom Goddard | Owned by: | Eric Pettersen |
|---|---|---|---|
| Priority: | major | Milestone: | |
| Component: | MD/Ensemble Analysis | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
For performance, change CoordSets from vector to map. As per T.G.:
I think finding a coordinate set from its id needs to be a map lookup rather than scanning the vector of potentially thousands of coordinate sets. For instance if I cycle through every coordinate set (for instance to compute crosslink lengths) then I end up looking up every single coordinate set id and with a vector scan it takes order N2 time where N might be 10,000 coordinate frames. It’s not a problem with my current 1000 coordinate set ensembles.
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