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Factor out ParticleList #3252

Merged
merged 5 commits into from
Oct 17, 2019
Merged

Factor out ParticleList #3252

merged 5 commits into from
Oct 17, 2019

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fweik
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@fweik fweik commented Oct 15, 2019

Follow up on #3251.

Description of changes:

  • Pulling ParticleList out of particle_data.hpp to get better
    header disentanglement.

@fweik fweik changed the title Factor out ParticleList WIP: Factor out ParticleList Oct 16, 2019
@jngrad
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jngrad commented Oct 16, 2019

Could you please rebase the branch, possibly starting from 34c6bd7? It's hard to follow the changes.

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fweik commented Oct 16, 2019

I'll tell you when it's ready, I first have to remove the regression that I introduced.

@fweik fweik changed the title WIP: Factor out ParticleList Factor out ParticleList Oct 16, 2019
@fweik fweik requested a review from jngrad October 16, 2019 15:10
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codecov bot commented Oct 16, 2019

Codecov Report

Merging #3252 into python will decrease coverage by <1%.
The diff coverage is 97%.

Impacted file tree graph

@@          Coverage Diff           @@
##           python   #3252   +/-   ##
======================================
- Coverage      85%     85%   -1%     
======================================
  Files         531     532    +1     
  Lines       25796   25792    -4     
======================================
- Hits        22169   22163    -6     
- Misses       3627    3629    +2
Impacted Files Coverage Δ
src/core/io/mpiio/mpiio.cpp 84% <ø> (ø) ⬆️
src/core/Cell.hpp 94% <ø> (-1%) ⬇️
src/core/rotation.cpp 97% <ø> (ø) ⬆️
src/core/collision.cpp 79% <ø> (ø) ⬆️
src/core/immersed_boundary/ImmersedBoundaries.cpp 20% <ø> (ø) ⬆️
src/core/PartCfg.hpp 100% <ø> (ø) ⬆️
...tatics_magnetostatics/magnetic_non_p3m_methods.cpp 31% <ø> (ø) ⬆️
.../electrostatics_magnetostatics/mdlc_correction.cpp 89% <ø> (ø) ⬆️
src/core/debug.cpp 46% <ø> (ø) ⬆️
src/core/integrators/velocity_verlet_npt.cpp 83% <ø> (ø) ⬆️
... and 21 more

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jngrad commented Oct 16, 2019

By rebasing, I meant squashing all the "fix..." commits together until each commit is self-contained :)

@fweik fweik changed the title Factor out ParticleList WIP: Factor out ParticleList Oct 16, 2019
@fweik fweik changed the title WIP: Factor out ParticleList Factor out ParticleList Oct 16, 2019
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fweik commented Oct 16, 2019

@jngrad is this better now?

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Thanks!

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jngrad commented Oct 17, 2019

bors r+

bors bot added a commit that referenced this pull request Oct 17, 2019
3252: Factor out ParticleList r=jngrad a=fweik

Follow up on #3251.

Description of changes:
 - Pulling `ParticleList` out of `particle_data.hpp` to get better
   header disentanglement.


3256: Remove tutorial 10 and unused LaTeX files r=fweik a=jngrad

Closes #3211

Description of changes:
- removed tutorial 10
- removed unused LaTeX preambles

3257: Remove PDB parser feature r=fweik a=jngrad

The consensus offline at the ICP and online in #1441 is to drop support of the PDB parser feature in favor of the dedicated python package MDAnalysis.

Co-authored-by: Florian Weik <fweik@icp.uni-stuttgart.de>
Co-authored-by: Jean-Noël Grad <jgrad@icp.uni-stuttgart.de>
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jngrad commented Oct 17, 2019

bors r-
(failed merge on staging)

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bors bot commented Oct 17, 2019

Canceled (will resume)

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bors bot commented Oct 17, 2019

Canceled

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jngrad commented Oct 17, 2019

bors r+

bors bot added a commit that referenced this pull request Oct 17, 2019
3252: Factor out ParticleList r=jngrad a=fweik

Follow up on #3251.

Description of changes:
 - Pulling `ParticleList` out of `particle_data.hpp` to get better
   header disentanglement.


3256: Remove tutorial 10 and unused LaTeX files r=fweik a=jngrad

Closes #3211

Description of changes:
- removed tutorial 10
- removed unused LaTeX preambles

3257: Remove PDB parser feature r=fweik a=jngrad

The consensus offline at the ICP and online in #1441 is to drop support of the PDB parser feature in favor of the dedicated python package MDAnalysis.

Co-authored-by: Florian Weik <fweik@icp.uni-stuttgart.de>
Co-authored-by: Jean-Noël Grad <jgrad@icp.uni-stuttgart.de>
@bors bors bot merged commit f28097b into espressomd:python Oct 17, 2019
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bors bot commented Oct 17, 2019

Build succeeded

@fweik fweik deleted the ParticleList branch August 27, 2020 10:22
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2 participants