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Refactor reader.py#77

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hannahbaumann merged 74 commits intomainfrom
reader_refactor
Feb 17, 2026
Merged

Refactor reader.py#77
hannahbaumann merged 74 commits intomainfrom
reader_refactor

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@hannahbaumann
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@hannahbaumann hannahbaumann self-assigned this Feb 3, 2026
@hannahbaumann hannahbaumann changed the title [DNM] Refactor reader.py [WIP] Refactor reader.py Feb 6, 2026
@hannahbaumann hannahbaumann changed the title [WIP] Refactor reader.py Refactor reader.py Feb 6, 2026
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IAlibay commented Feb 13, 2026

Some of the fixes you are introducing in #64 seem to be in this PR and it's making it hard for me to review this with a focus solely on the reader. Is there a chance you could split it just the reader changes here?

hannahbaumann and others added 7 commits February 16, 2026 13:01
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
@hannahbaumann hannahbaumann changed the base branch from main to fix_rmsd_multichain February 16, 2026 13:41
Base automatically changed from fix_rmsd_multichain to main February 16, 2026 15:57
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Just the one thing - I'm going to approve but please do merge the view->index_method change!

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This looks great!

@@ -213,69 +213,65 @@ def _get_unitcell(
def trajectory_from_multistate(
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This is the one that we don't formally use internally right?

Thanks for updating it!

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Yes, this is the one that we haven't been using yet.

Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
@hannahbaumann hannahbaumann merged commit 3cbc61d into main Feb 17, 2026
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@hannahbaumann hannahbaumann deleted the reader_refactor branch February 17, 2026 07:58
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2 participants