fix: rescue smiles generation with openbabel#2915
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| c.set_out_format 'can' | ||
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin |
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Metrics/ModuleLength: Module has too many lines. [420/100]
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| c.set_out_format 'can' | ||
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin |
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Metrics/AbcSize: Assignment Branch Condition size for molecule_info_from_structure is too high. [<22, 55, 15> 61.11/25]
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| c.set_out_format 'can' | ||
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin |
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Metrics/CyclomaticComplexity: Cyclomatic complexity for molecule_info_from_structure is too high. [12/7]
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| c.set_out_format 'can' | ||
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin |
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Metrics/MethodLength: Method has too many lines. [66/30]
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| c.set_out_format 'can' | ||
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin |
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Metrics/PerceivedComplexity: Perceived complexity for molecule_info_from_structure is too high. [14/8]
PiTrem
changed the title
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| c.set_out_format 'can' | ||
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin |
There was a problem hiding this comment.
Metrics/ModuleLength: Module has too many lines. [419/100]
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| c.set_out_format 'can' | ||
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin |
There was a problem hiding this comment.
Metrics/AbcSize: Assignment Branch Condition size for molecule_info_from_structure is too high. [<21, 53, 15> 58.95/25]
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| c.set_out_format 'can' | ||
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin |
There was a problem hiding this comment.
Metrics/MethodLength: Method has too many lines. [65/30]
lib/chemotion/open_babel_service.rb
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| c.set_out_format 'can' | ||
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin | ||
| c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip |
There was a problem hiding this comment.
Style/StringLiterals: Prefer single-quoted strings when you don't need string interpolation or special symbols.
LCOV of commit
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LCOV of commit
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| c.set_out_format 'can' | ||
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin |
There was a problem hiding this comment.
Metrics/AbcSize: Assignment Branch Condition size for molecule_info_from_structure is too high. [<22, 56, 15> 62.01/25]
| ca_smiles = c.write_string(m, false).to_s.gsub(/\s.*/m, "").strip | ||
| ca_smiles = begin | ||
| str = c.write_string(m, false).to_s | ||
| str.lines.first.to_s.gsub(/\s.*/m, "").strip |
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Style/StringLiterals: Prefer single-quoted strings when you don't need string interpolation or special symbols.
LCOV of commit
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1 participant
rather 1-story 1-commit than sub-atomic commits
commit title is meaningful => git history search
commit description is helpful => helps the reviewer to understand the changes
code is up-to-date with the latest developments of the target branch (rebased to it or whatever) => ⏩-merge for linear history is favoured
added code is linted
tests are passing (at least locally): we still have some random test failure on CI. thinking of asking spec/examples.txt to be commited
in case the changes are visible to the end-user, video or screenshots should be added to the PR => helps with user testing
testing coverage improvement is improved.
CHANGELOG : add a bullet point on top (optional: reference to github issue/PR )
parallele PR for documentation on docusaurus if the feature/fix is tagged for a release