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NO_JIRA Open source clean up #93

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NO_JIRA Created file structure based on licence. Updated some scripts…

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NO_JIRA Open source clean up #93

NO_JIRA Created file structure based on licence. Updated some scripts…
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SonarQubeCloud / SonarCloud Code Analysis succeeded May 27, 2026 in 32s

Quality Gate passed

Issues
11 New issues
0 Accepted issues

Measures
0 Security Hotspots
0.0% Coverage on New Code
0.0% Duplication on New Code

See analysis details on SonarQube Cloud

Annotations

Check failure on line 220 in scripts/discovery/find_binding_conformation/find_binding_conformation.py

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Refactor this function to reduce its Cognitive Complexity from 25 to the 15 allowed. 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI66QEOv_2b6FJEES&open=AZ5qI66QEOv_2b6FJEES&pullRequest=93

Check warning on line 10 in notebooks/Discovery/07_Cavities/pdbe_get.ps1

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Remove trailing whitespace from this line 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI69qEOv_2b6FJEEX&open=AZ5qI69qEOv_2b6FJEEX&pullRequest=93

Check warning on line 12 in notebooks/Discovery/07_Cavities/pdbe_get.ps1

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Remove trailing whitespace from this line 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI69qEOv_2b6FJEEY&open=AZ5qI69qEOv_2b6FJEEY&pullRequest=93

Check warning on line 2 in notebooks/Discovery/07_Cavities/pdbe_get.ps1

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Remove trailing whitespace from this line 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI69qEOv_2b6FJEEU&open=AZ5qI69qEOv_2b6FJEEU&pullRequest=93

Check warning on line 3 in notebooks/Discovery/07_Cavities/pdbe_get.ps1

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Change case of keyword from 'Param' to 'param' 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI69qEOv_2b6FJEET&open=AZ5qI69qEOv_2b6FJEET&pullRequest=93

Check warning on line 4 in notebooks/Discovery/07_Cavities/pdbe_get.ps1

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Remove trailing whitespace from this line 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI69qEOv_2b6FJEEV&open=AZ5qI69qEOv_2b6FJEEV&pullRequest=93

Check warning on line 106 in scripts/core/refcodes_with_properties/entry_property_calculator.py

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Replace set constructor call with a set comprehension. 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI6zxEOv_2b6FJEEO&open=AZ5qI6zxEOv_2b6FJEEO&pullRequest=93

Check warning on line 126 in scripts/core/refcodes_with_properties/entry_property_calculator.py

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Replace set constructor call with a set comprehension. 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI6zxEOv_2b6FJEEP&open=AZ5qI6zxEOv_2b6FJEEP&pullRequest=93

Check warning on line 6 in notebooks/Discovery/07_Cavities/pdbe_get.ps1

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Remove trailing whitespace from this line 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI69qEOv_2b6FJEEW&open=AZ5qI69qEOv_2b6FJEEW&pullRequest=93

Check warning on line 159 in scripts/discovery/gold_multi/gold_multi.py

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Use the opposite operator ("!=") instead. 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI657EOv_2b6FJEER&open=AZ5qI657EOv_2b6FJEER&pullRequest=93

Check warning on line 289 in scripts/core/hydrogen_bond_propensity/hydrogen_bond_propensity_report.py

See this annotation in the file changed.

@sonarqubecloud sonarqubecloud / SonarCloud Code Analysis

Unpack the value from 'enumerate()' directly instead of using an index lookup. 

See more on https://sonarcloud.io/project/issues?id=ccdc-opensource_csd-python-api-scripts&issues=AZ5qI63VEOv_2b6FJEEQ&open=AZ5qI63VEOv_2b6FJEEQ&pullRequest=93
View more details on SonarQubeCloud