Some more categories written out to CIF #1063
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sbittrich
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May 24, 2023
| entityDescriptions[i] = e.getDescription() == null? "?" : e.getDescription(); | ||
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| String[] polyEntityIds = entityInfos.stream().filter(e -> e.getType() == EntityType.POLYMER).map(e -> Integer.toString(e.getMolId())).collect(Collectors.toList()).toArray(new String[]{}); |
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Streams have a toArray method as well. .collect(Collectors.toList()).toArray(new String[]{}) can be simplified to .toArray(String[]::new), effectively skipping the creation of a List.
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Nice one, thanks. Added a commit.
And shame to IntelliJ for not suggesting this!
sbittrich
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May 24, 2023
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Thanks, code looks good and should solve our problem.
There are 2 stream expressions that can be simplified.
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| String[] polyEntityIds = entityInfos.stream().filter(e -> e.getType() == EntityType.POLYMER).map(e -> Integer.toString(e.getMolId())).collect(Collectors.toList()).toArray(new String[]{}); | ||
| String[] polyEntitySeqs = entityInfos.stream().filter(e -> e.getType() == EntityType.POLYMER).map(e -> e.getChains().get(0).getSeqResSequence()).collect(Collectors.toList()).toArray(new String[]{}); |
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Adding
_entityand_entity_polyto CIF output, so that some more metadata is available for consumers.Also:
Chains when no entity info is present in input file