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diffpy / libdiffpy

DiffPy C++ library for calculation of PDF and other real-space quantities
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Fix off-center inversion for ObjCryst adapter #20

Closed pavoljuhas closed 6 years ago

pavoljuhas commented 6 years ago

Fix incorrect unit cell expansion when inversion center is away from the origin.

codecov[bot] commented 6 years ago

Codecov Report

Merging #20 into master will increase coverage by 0.03%. The diff coverage is 85.71%.

Impacted file tree graph

@@            Coverage Diff            @@
##           master     #20      +/-   ##
=========================================
+ Coverage   85.76%   85.8%   +0.03%     
=========================================
  Files         137     137              
  Lines        7238    7264      +26     
  Branches      534     534              
=========================================
+ Hits         6208    6233      +25     
- Misses        799     800       +1     
  Partials      231     231
Impacted Files Coverage Δ
src/tests/TestObjCrystStructureAdapter.hpp 98.18% <100%> (+0.09%) :arrow_up:
src/diffpy/srreal/ObjCrystStructureAdapter.cpp 91.59% <72.72%> (-3.1%) :arrow_down:
src/diffpy/srreal/CrystalStructureAdapter.cpp 81.59% <0%> (+1.84%) :arrow_up:

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