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@RMeli RMeli commented Aug 12, 2019

Fixes #2324

Changes made in this Pull Request:

  • Stripped PDB HEADER in PDBReader of newline trailing characters.
  • Stripped PDB HEADER in PDBWriter of newline trailing characters.

I'm not sure which tests need to be added, since PDBReader and PDBWriter should already be tested.

This problem does not really concern MDAnalysis, since it can cope with PDB files containing empty lines.

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

@RMeli RMeli changed the title Fixes PDBWriters newlines for PDB header Fixes PDBWriter and PDBReader newlines for PDB header Aug 12, 2019
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codecov bot commented Aug 12, 2019

Codecov Report

Merging #2325 into develop will not change coverage.
The diff coverage is 100%.

Impacted file tree graph

@@           Coverage Diff            @@
##           develop    #2325   +/-   ##
========================================
  Coverage    89.75%   89.75%           
========================================
  Files          173      173           
  Lines        21536    21536           
  Branches      2804     2804           
========================================
  Hits         19329    19329           
  Misses        1615     1615           
  Partials       592      592
Impacted Files Coverage Δ
package/MDAnalysis/coordinates/PDB.py 90.63% <100%> (ø) ⬆️

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Thanks @RMeli

@richardjgowers richardjgowers merged commit b39796e into MDAnalysis:develop Aug 12, 2019
@RMeli RMeli deleted the bugfix/writepdb branch August 13, 2019 11:37
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PDBWriter adds empty line after header

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