1. 30 Nov, 2021 2 commits
  2. 29 Nov, 2021 2 commits
  3. 26 Nov, 2021 2 commits
  4. 23 Nov, 2021 3 commits
    • kodiakhq[bot]'s avatar
      Modernize Actors and LB testsuite (#4393) · 59e25122
      kodiakhq[bot] authored
      Backport recent improvements on the walberla branch.
      
      Description of changes:
      - don't raise an exception when importing symbol `LBFluidGPU` if not compiled in, instead raise an exception when an attempt is made to instantiate the class
         - this allows making LB classes members of unittest classes, instead of members of their `setUp()`
         - this makes the behavior of `LBFluidGPU` consistent with the other opt-in classes
      - use `setUp()` and `tearDown()` in the LB testsuite to guarantee the system class is always in a clean state
         - this removes ~60 lines of duplicated `setUp()`/`tearDown()` code and improves separation of concerns
      - clear the list of actors (in reverse order) when the `System` class is destructed
         - this is required: the LB actor destructor has side-effects that interact with long-range interaction actor destructors
         - the testsuite now indirectly checks that many combinations of actors can be cleared
      - improve code coverage of LB interface exceptions
      59e25122
    • kodiakhq[bot]'s avatar
      817f64d6
    • kodiakhq[bot]'s avatar
      Script interface maintenance (#4394) · f463f42e
      kodiakhq[bot] authored
      Description of changes:
      - allow `@property`-setters in `ScriptInterfaceHelper` classes instead of silently skipping them
      - unit test the `ScriptInterfaceHelper` class in python
      - re-enable benchmark tests
      - fix regressions introduced by #4350
      - store bond objects in the ObjectMap (see https://github.com/espressomd/espresso/issues/4391#issuecomment-968664361)
      - stop using the core global variable `this_node` in the script interface
      f463f42e
  5. 21 Nov, 2021 2 commits
  6. 18 Nov, 2021 2 commits
  7. 17 Nov, 2021 2 commits
  8. 16 Nov, 2021 2 commits
    • Jean-Noël Grad's avatar
      python: Fix script interface attribute lookup bug · cdb6b90e
      Jean-Noël Grad authored
      Class attribute lookup invokes __getattribute__/__setattr__,
      properties, __dict__ and __getattr__ (in order of precedence).
      In the old implementation, when a class derived from
      ScriptInterfaceHelper adds attributes via the @property
      decorator, `obj.attribute` would call the property getter
      but `obj.attribute = 5` would write it to the __dict__
      instead of calling the property getter. The deleter would
      also fail to resolve to the property deleter.
      cdb6b90e
    • Jean-Noël Grad's avatar
      tests: Re-enable benchmark tests · 838c32c3
      Jean-Noël Grad authored
      838c32c3
  9. 15 Nov, 2021 2 commits
  10. 12 Nov, 2021 1 commit
  11. 11 Nov, 2021 1 commit
    • Jean-Noël Grad's avatar
      tests: Remove code duplication in LB test cases · 260245e1
      Jean-Noël Grad authored
      Use setUp() and tearDown() methods to guarantee the ESPResSo system
      is cleaned up between each test. Properly use multiple inheritance
      to write setUp() and tearDown() methods only once in the base class.
      260245e1
  12. 10 Nov, 2021 1 commit
    • Jean-Noël Grad's avatar
      python: Clear the list of actors upon exit · e479b9d9
      Jean-Noël Grad authored
      Actor objects can set up global bitfields as a side-effect of their
      construction. Sanity checks in the core depend on these bitfields,
      so it is necessary to call the Actor destructors from python when
      the system exits, so as to reset global bitfields in reverse order.
      This avoids accidental side effects, such as throwing an exception
      in the destructor of another Actor object that doesn't allow changes
      to the MD cellsystem.
      e479b9d9
  13. 09 Nov, 2021 3 commits
  14. 08 Nov, 2021 6 commits
  15. 07 Nov, 2021 1 commit
  16. 05 Nov, 2021 5 commits
  17. 04 Nov, 2021 3 commits
    • kodiakhq[bot]'s avatar
      LB boundaries and OpenGL visualizer maintenance (#4376) · ceba3b9c
      kodiakhq[bot] authored
      Description of changes:
      - improve readability of the LB boundary code
      - reduce the Mach limit to a more reasonable value (with literature references)
      - document all OpenGL visualizer keywords and guard against divisions by zero
      - add a keyword to control the radius of LB arrows in the OpenGL visualizer
      - mention the `CylindricalLBVelocityProfile` in the user guide
      ceba3b9c
    • kodiakhq[bot]'s avatar
      Merge branch 'python' into lb_visu · 3176de7d
      kodiakhq[bot] authored
      3176de7d
    • kodiakhq[bot]'s avatar
      Add Sphinx toggleprompt plugin (#4386) · 4f673535
      kodiakhq[bot] authored
      Description of changes:
      - update docker images and remove unused rolling image (`fedora-latest`)
      - add a button to hide output and prompt symbols in python code examples
      - require a compatible MDAnalysis version when using `espressomd.MDA_ESP`
      4f673535