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Piece wize boundaries #457

Merged
merged 24 commits into from
Dec 7, 2019
Merged

Piece wize boundaries #457

merged 24 commits into from
Dec 7, 2019

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JoshuaSBrown
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@JoshuaSBrown JoshuaSBrown commented Nov 22, 2019

So this is a piece wise merge of my development branch #381, I'm going to break it up into a bunch of small merges because it is too much to do all at once. Here, the boundary class is updated.
Methods are made const
pragma once is included
header guards are updated
A clone method is introduced which allows safe copying of the class, which is needed because the boundarycondition class is stored as a dynamic pointer.

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@JensWehner JensWehner left a comment

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I am not sure about the clone method. I think a proper copyconstructor would be more explicit and follow the intention. Otherwise nice additions

include/votca/csg/triclinicbox.h Outdated Show resolved Hide resolved
include/votca/csg/orthorhombicbox.h Outdated Show resolved Hide resolved
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codecov bot commented Nov 22, 2019

Codecov Report

Merging #457 into master will increase coverage by <.1%.
The diff coverage is 100%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master   #457     +/-   ##
=======================================
+ Coverage    60.9%    61%   +<.1%     
=======================================
  Files         129    129             
  Lines        6290   6298      +8     
=======================================
+ Hits         3835   3845     +10     
+ Misses       2455   2453      -2
Flag Coverage Δ
#gcc 61% <100%> (ø) ⬆️
Impacted Files Coverage Δ
src/libcsg/boundarycondition.cc 100% <100%> (ø) ⬆️
include/votca/csg/openbox.h 100% <100%> (ø) ⬆️
include/votca/csg/orthorhombicbox.h 100% <100%> (ø) ⬆️
include/votca/csg/triclinicbox.h 100% <100%> (+100%) ⬆️
include/votca/csg/boundarycondition.h 100% <100%> (ø) ⬆️

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@junghans
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junghans commented Dec 6, 2019

Misses code formatting.

@JoshuaSBrown
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@JensWehner Can you review/approve?

@junghans junghans merged commit aab4105 into master Dec 7, 2019
@junghans junghans deleted the piece-wize-boundaries branch December 7, 2019 23:21
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3 participants