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Fix missing M END tag for SDF format, close #266 #267

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merged 1 commit into from
May 22, 2021

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FanwangM
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Because we are missing M END tag when dumping a molecule, the dumped molecule can not be recognized by molecular packages, such as OpenBabel or RDKit. This PR fixes this problem and should close #266.

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codecov bot commented May 22, 2021

Codecov Report

Merging #267 (bd3478e) into master (5725867) will increase coverage by 0.00%.
The diff coverage is 100.00%.

Impacted file tree graph

@@           Coverage Diff           @@
##           master     #267   +/-   ##
=======================================
  Coverage   94.94%   94.94%           
=======================================
  Files          74       74           
  Lines        8718     8719    +1     
  Branches     1195     1195           
=======================================
+ Hits         8277     8278    +1     
  Misses        192      192           
  Partials      249      249           
Impacted Files Coverage Δ
iodata/formats/sdf.py 98.52% <100.00%> (+0.02%) ⬆️

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Thanks. Looks good.

@tovrstra tovrstra merged commit 1de4661 into theochem:master May 22, 2021
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Fix dump_one and dump_many for SDF file format
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