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Add shape support #132

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merged 10 commits into from
Nov 21, 2024
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@rvhonorato rvhonorato commented Nov 21, 2024

This PR adds shape support to haddock-runner - currently only supporting v3, unclear if this is also needed in v2+ (see #131 (comment))

To define a shape the user needs to provide the shape_suffix parameter

@rvhonorato rvhonorato linked an issue Nov 21, 2024 that may be closed by this pull request
@rvhonorato rvhonorato self-assigned this Nov 21, 2024
handled in the dev environment already
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codacy-production bot commented Nov 21, 2024

Coverage summary from Codacy

See diff coverage on Codacy

Coverage variation Diff coverage
+0.07% 97.37%
Coverage variation details
Coverable lines Covered lines Coverage
Common ancestor commit (6324776) 1607 1429 88.92%
Head commit (082ba62) 1608 (+1) 1431 (+2) 88.99% (+0.07%)

Coverage variation is the difference between the coverage for the head and common ancestor commits of the pull request branch: <coverage of head commit> - <coverage of common ancestor commit>

Diff coverage details
Coverable lines Covered lines Diff coverage
Pull request (#132) 38 37 97.37%

Diff coverage is the percentage of lines that are covered by tests out of the coverable lines that the pull request added or modified: <covered lines added or modified>/<coverable lines added or modified> * 100%

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@rvhonorato rvhonorato marked this pull request as ready for review November 21, 2024 13:02
@rvhonorato rvhonorato merged commit bc88a67 into main Nov 21, 2024
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@rvhonorato rvhonorato deleted the 131-allow-to-add-shapes-as-part-of-input-molecules branch November 21, 2024 13:08
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Allow to add shapes as part of input molecules
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