mdanalysis
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Adding Appending Functionality method to WriterBase
Fixes #3861
Changes made in this Pull Request:
- add new SingleFrameWriterBase
- add new flag
append
for appending trajectory to WriterBase - add a check for the number of frames written by WriterBase.
- make sure
write
is not overwritten by Writers (they only modified_write_next_frame
)
TODO:
- add tests for writers that are not covered by BaseWriterTest
PR Checklist
- [x] Tests?
- [] Docs?
- [] CHANGELOG updated?
- [x] Issue raised/referenced?
Codecov Report
Base: 94.31% // Head: 94.34% // Increases project coverage by +0.03%
:tada:
Coverage data is based on head (
523a46f
) compared to base (35248e8
). Patch coverage: 95.50% of modified lines in pull request are covered.
Additional details and impacted files
@@ Coverage Diff @@
## develop #3863 +/- ##
===========================================
+ Coverage 94.31% 94.34% +0.03%
===========================================
Files 193 193
Lines 25024 25068 +44
Branches 3374 3376 +2
===========================================
+ Hits 23601 23651 +50
+ Misses 1374 1368 -6
Partials 49 49
Impacted Files | Coverage Δ | |
---|---|---|
package/MDAnalysis/coordinates/XYZ.py | 92.05% <75.00%> (-0.76%) |
:arrow_down: |
package/MDAnalysis/coordinates/PDB.py | 95.62% <78.57%> (+0.48%) |
:arrow_up: |
package/MDAnalysis/coordinates/CRD.py | 93.20% <100.00%> (+1.04%) |
:arrow_up: |
package/MDAnalysis/coordinates/DCD.py | 100.00% <100.00%> (ø) |
|
package/MDAnalysis/coordinates/FHIAIMS.py | 95.09% <100.00%> (ø) |
|
package/MDAnalysis/coordinates/GRO.py | 96.66% <100.00%> (ø) |
|
package/MDAnalysis/coordinates/H5MD.py | 97.60% <100.00%> (-0.01%) |
:arrow_down: |
package/MDAnalysis/coordinates/MOL2.py | 97.67% <100.00%> (ø) |
|
package/MDAnalysis/coordinates/NAMDBIN.py | 100.00% <100.00%> (ø) |
|
package/MDAnalysis/coordinates/PDBQT.py | 87.75% <100.00%> (+0.12%) |
:arrow_up: |
... and 12 more |
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