Exception in `surface.py` is never raised after adding coordinate wrapping.

MDAnalysis / membrane-curvature

MDAnalysis tool to calculate membrane curvature.

https://membrane-curvature.readthedocs.io/

GNU General Public License v3.0

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Exception in `surface.py` is never raised after adding coordinate wrapping. #50

Closed ojeda-e closed 3 years ago

ojeda-e commented 3 years ago

After adding PBC/coordinate wrapping and while testing the exception in line 76-77 of surface.py, I noticed IndexError is not raised. Issue identified by the message AssertionError: Regex pattern 'index is out of bounds' does not match 'index 3 is out of bounds for axis 0 with size 3'.

If the exception is not raised, should be removed. However, there must be some sort of IndexError or ValueError raising to notify the user there is a potential loss of information by lack of sampling.

To fix this issue:

Figure out if the exception is needed. If not, provide an alternative.
Add tests to raise the exception if included.

orbeckst commented 3 years ago

From what you're writing it looks to me that an IndexError is raised but that the message is not the one you were expecting.

lilyminium commented 3 years ago

1 — regex stands for regular expression. (https://en.m.wikipedia.org/wiki/Regular_expression ) The pattern matching isn’t working because there are extra values in the actual error message

On Jul 17, 2021, at 3:57 PM, Oliver Beckstein @.***> wrote:

From what you're writing it looks to me that an IndexError is raised but that the message is not the one you were expecting.

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ojeda-e commented 3 years ago

Sorry, I should have been tired when this happened. Never mind. Can I close this? (Sorry, unintentionally close this)