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Fix particle-id based observables with non-contigeous particle numbering #3380

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merged 1 commit into from
Dec 12, 2019

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RudolfWeeber
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Fixes #3362

  • Fixes some pid obervables which were using the index in the list of particle ids rather than the particle id.
  • Test pid-based observables with non-contigeous particle ids
  • Remove the mass prefactors from ComForce, so that it calculates what is claimed i the docstring.

I did not rename ComForce, since this is for a bugfix release. Later it should become TotalForce.

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codecov bot commented Dec 12, 2019

Codecov Report

Merging #3380 into python will increase coverage by <1%.
The diff coverage is 100%.

Impacted file tree graph

@@           Coverage Diff           @@
##           python   #3380    +/-   ##
=======================================
+ Coverage      86%     86%   +<1%     
=======================================
  Files         537     537            
  Lines       25283   25285     +2     
=======================================
+ Hits        21805   21808     +3     
+ Misses       3478    3477     -1
Impacted Files Coverage Δ
src/core/observables/ParticleBodyVelocities.hpp 100% <100%> (ø) ⬆️
src/core/observables/ComForce.hpp 100% <100%> (ø) ⬆️
src/core/observables/ParticleAngularVelocities.hpp 100% <100%> (ø) ⬆️
src/core/electrostatics_magnetostatics/p3m.cpp 85% <0%> (ø) ⬆️

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LGTM

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jngrad commented Dec 12, 2019

bors r=jngrad p=1910603306

bors bot added a commit that referenced this pull request Dec 12, 2019
3380: Fix particle-id based observables with non-contigeous particle numbering r=jngrad a=RudolfWeeber

Fixes #3362 

* Fixes some pid obervables which were using the index in the list of particle ids rather than the particle id.
* Test pid-based observables with non-contigeous particle ids
* Remove the mass prefactors from ComForce, so that it calculates what is claimed i the docstring.

I did not rename ComForce, since this is for a bugfix release. Later it should become TotalForce.


Co-authored-by: Rudolf Weeber <weeber@icp.uni-stuttgart.de>
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bors bot commented Dec 12, 2019

Build succeeded

@bors bors bot merged commit e1fd461 into espressomd:python Dec 12, 2019
@jngrad jngrad added this to the Espresso 4.1.2 milestone Dec 12, 2019
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Some observables return values for wrong particles
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