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Structure mc documentation #3330

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merged 6 commits into from
Nov 22, 2019

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jonaslandsgesell
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@jonaslandsgesell jonaslandsgesell commented Nov 20, 2019

Fixes #3309

  • correctly indent the Reaction Ensemble subsections in the Sphinx docs
  • add a note explaining particle ids may be invalidated when a chemical reaction is added

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RudolfWeeber commented Nov 20, 2019 via email

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jonaslandsgesell commented Nov 20, 2019

Yes iterating across system.part would work, also iterating over valid pids (given in system.part.id) would work.

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codecov bot commented Nov 20, 2019

Codecov Report

Merging #3330 into python will increase coverage by <1%.
The diff coverage is n/a.

Impacted file tree graph

@@           Coverage Diff           @@
##           python   #3330    +/-   ##
=======================================
+ Coverage      86%     86%   +<1%     
=======================================
  Files         538     538            
  Lines       25350   25350            
=======================================
+ Hits        21834   21835     +1     
+ Misses       3516    3515     -1
Impacted Files Coverage Δ
src/utils/tests/matrix_vector_product.cpp 100% <0%> (ø) ⬆️
src/core/particle_data.cpp 97% <0%> (ø) ⬆️

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@jngrad jngrad added this to the Espresso 4.1.2 milestone Nov 20, 2019
Move links to scripts and classes after the algorithm descriptions.
Provide a link to the class instead of a link to the module. Remove
outdated comments. Discuss particle ordering after a reaction step.
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jngrad commented Nov 22, 2019

bors r+

bors bot added a commit that referenced this pull request Nov 22, 2019
3330: Structure mc documentation r=jngrad a=jonaslandsgesell

Fixes #3309

* correctly indent the Reaction Ensemble subsections in the Sphinx docs
* add a note explaining particle ids may be invalidated when a chemical reaction is added


3332: Add 4.1.1 release notes in master r=fweik a=jngrad



Co-authored-by: Jonas Landsgesell <jonaslandsgesell@users.noreply.github.com>
Co-authored-by: Jean-Noël Grad <jgrad@icp.uni-stuttgart.de>
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bors bot commented Nov 22, 2019

Build succeeded

@bors bors bot merged commit 5ed5884 into espressomd:python Nov 22, 2019
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Reaction Ensemble docs update
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