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BUG: frame.data(...) returns data in wrong order #68

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kay-ro opened this issue Oct 18, 2024 · 1 comment · Fixed by #70
Closed

BUG: frame.data(...) returns data in wrong order #68

kay-ro opened this issue Oct 18, 2024 · 1 comment · Fixed by #70
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@kay-ro
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bug Something isn't working module: base status: ready for review Needs to be reviewed
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release v1.1.0

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@kay-ro
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kay-ro commented Oct 18, 2024

Description:

The order of the data returned by frame.data(...) is not the one it is supplied in.
This may be confusing and may lead to unexpected results.

image

Code for reproduction:

traj[0].data("z", "x", "y")
traj[0].data("x", "z", "y")
traj[0].data("x", "y", "z")

Error message:

No response

Python and AMEP versions:

1.0.2

Additional information:

No response

How did you install AMEP?

None
@kay-ro kay-ro added bug Something isn't working status: to do Issues that someone needs to work on module: base labels Oct 18, 2024
@kay-ro kay-ro added this to the release v1.0.3 milestone Oct 18, 2024
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kay-ro commented Oct 18, 2024

the issue is the used numpy.unique() function which sorts the keys alphabetically.
image

@kay-ro kay-ro self-assigned this Oct 18, 2024
kay-ro pushed a commit that referenced this issue Oct 18, 2024
fixed #68
452acd9
@kay-ro kay-ro added status: ready for review Needs to be reviewed and removed status: to do Issues that someone needs to work on labels Oct 18, 2024
@kay-ro kay-ro linked a pull request Oct 21, 2024 that will close this issue
gromacs+gsd/hoomd readers, general dist function, issues fixed #70
Merged
@kay-ro kay-ro modified the milestones: release v1.0.3, release v1.1.0 Oct 22, 2024
@kay-ro kay-ro closed this as completed Nov 13, 2024
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release v1.1.0
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gromacs+gsd/hoomd readers, general dist function, issues fixed amepproject/amep
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@kay-ro