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FelixBaensch / MORTAR

MOlecule fRagmenTAtion fRamework
MIT License
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Smiles import minor adaptions #13

Closed SamuelBehr closed 6 months ago

SamuelBehr commented 1 year ago

Minor adaptions to the SMILES import: If no name for a structure is detected, the file name extended with the index of the line containing the SMILES code in the file (formerly extended with the count of so far parsed SMILES) is assigned as name to the structure; detected "invalid" lines are now being logged with their index in the file; the ParsableLinesCount and InvalidLinesCount are now only logged if "invalid" lines were encountered; added hyphen ("|") as possible SMILES file separator;

What do you two think of these changes?

Please review!

sonarcloud[bot] commented 1 year ago

Kudos, SonarCloud Quality Gate passed!    Quality Gate passed

Bug A 0 Bugs
Vulnerability A 0 Vulnerabilities
Security Hotspot A 0 Security Hotspots
Code Smell A 4 Code Smells

No Coverage information No Coverage information
0.0% 0.0% Duplication

sonarcloud[bot] commented 6 months ago

Quality Gate Passed Quality Gate passed

Issues
2 New issues

Measures
0 Security Hotspots
No data about Coverage
0.0% Duplication on New Code

See analysis details on SonarCloud

JonasSchaub commented 6 months ago

@FelixBaensch I've made the changes you requested. Please review again (merging is blocked otherwise). Thank you!