Add mmcif compatibility to mdanalysis library #57
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Coverage 100.00% 100.00%
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Files 21 22 +1
Lines 1122 1136 +14
Branches 84 85 +1
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+ Hits 1122 1136 +14
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The feature is working perfectly when the client runs. Also, it works when importing manually from a script, for example: import subprocess
cmd = 'taurenmd report tests/data/pcnaA_frame0.cif tests/data/pcnaA.dcd'
p = subprocess.run(cmd.split(), capture_output=True)
print(p)
from taurenmd.libs.libmda import load_universe
load_universe('tests/data/pcnaA_frame0.cif', 'tests/data/pcnaA.dcd')But can't make it work in the test cases in |
makes no sense because they install the previous version.
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Code Climate has analyzed commit b5c0ff4 and detected 0 issues on this pull request. View more on Code Climate. |
joaomcteixeira
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Nov 24, 2021
Merge pull request #57 Add mmcif compatibility to mdanalysis library
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Add mmcif compatibility to mdanalysis library.
See MDAnalysis/mdanalysis#2367 (comment)