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Restore constraints event handling #4778

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merged 1 commit into from
Aug 25, 2023

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@jngrad jngrad commented Aug 24, 2023

Description of changes:

  • Resizing the box now throws a runtime error if there are constraints present, since constraint preconditions might no longer be fulfilled (e.g. a wall constraint might end up outside the box boundaries when the box shrinks)
  • This feature was originally introduced in ESPResSo 4.0.0 (Throw on box change #2031), but never actually worked because the PR accidentally removed the event function call during merge conflict resolution

@jngrad jngrad added the automerge Merge with kodiak label Aug 25, 2023
@kodiakhq kodiakhq bot merged commit f8e0a66 into espressomd:python Aug 25, 2023
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@jngrad jngrad deleted the constraints-boxl branch August 25, 2023 12:30
jngrad pushed a commit to jngrad/espresso that referenced this pull request Dec 5, 2023
Description of changes:
- Resizing the box now throws a runtime error if there are constraints present, since constraint preconditions might no longer be fulfilled (e.g. a wall constraint might end up outside the box boundaries when the box shrinks)
- This feature was originally introduced in ESPResSo 4.0.0 (espressomd#2031), but never actually worked because the PR accidentally removed the event function call during merge conflict resolution
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3 participants