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Don't rely on jsanitize
in Atoms
<--> Structure
object interconversion
#3359
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Andrew-S-Rosen
changed the title
Don't rely on
[WIP] Don't rely on Sep 28, 2023
jsanitize
in Atoms
<--> Structure
object interconversion jsanitize
in Atoms
<--> Structure
object interconversion
Andrew-S-Rosen
changed the title
[WIP] Don't rely on
Don't rely on Sep 28, 2023
jsanitize
in Atoms
<--> Structure
object interconversion jsanitize
in Atoms
<--> Structure
object interconversion
@chiang-yuan, @janosh: This is ready for your review. |
Just want to offer thanks for this! @Andrew-S-Rosen you are so swift on this! (even on PTO 🫡 |
Had a spare moment and couldn't get it off my mind. I can go back to the beach life now. 😎🏖️ |
janosh
added
enhancement
A new feature or improvement to an existing one
ase
Atomic simulation environment
labels
Oct 3, 2023
4 tasks
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Closes #3358.
As raised in #3270, I stated:
I now have avoided the needed to call
jsanitize
so that we don't lose any info between interconversion. To do this, I have "manually" JSON-ified and reconstructed the ASESpacegroup
object if present. I also did a much-needed general cleanup of both the class and test suite.