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mordred-descriptor/mordred

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mordred/TopoPSA.py

Summary

Maintainability
D
1 day
Test Coverage

Function _get_sulfur_contrib has a Cognitive Complexity of 18 (exceeds 5 allowed). Consider refactoring.
Open

    def _get_sulfur_contrib(cls, atom):
        nH = cls._hydrogen_count(atom)
        cnt = cls._bond_type_count(atom)

        if atom.GetFormalCharge() != 0:
Severity: Minor
Found in mordred/TopoPSA.py - About 2 hrs to fix

Cognitive Complexity

Cognitive Complexity is a measure of how difficult a unit of code is to intuitively understand. Unlike Cyclomatic Complexity, which determines how difficult your code will be to test, Cognitive Complexity tells you how difficult your code will be to read and comprehend.

A method's cognitive complexity is based on a few simple rules:

  • Code is not considered more complex when it uses shorthand that the language provides for collapsing multiple statements into one
  • Code is considered more complex for each "break in the linear flow of the code"
  • Code is considered more complex when "flow breaking structures are nested"

Further reading

Function _get_phosphorus_contrib has a Cognitive Complexity of 9 (exceeds 5 allowed). Consider refactoring.
Open

    def _get_phosphorus_contrib(cls, atom):
        nH = cls._hydrogen_count(atom)
        cnt = cls._bond_type_count(atom)

        if atom.GetFormalCharge() != 0 or atom.GetIsAromatic():
Severity: Minor
Found in mordred/TopoPSA.py - About 55 mins to fix

Cognitive Complexity

Cognitive Complexity is a measure of how difficult a unit of code is to intuitively understand. Unlike Cyclomatic Complexity, which determines how difficult your code will be to test, Cognitive Complexity tells you how difficult your code will be to read and comprehend.

A method's cognitive complexity is based on a few simple rules:

  • Code is not considered more complex when it uses shorthand that the language provides for collapsing multiple statements into one
  • Code is considered more complex for each "break in the linear flow of the code"
  • Code is considered more complex when "flow breaking structures are nested"

Further reading

Avoid too many return statements within this function.
Open

                    return 25.30
Severity: Major
Found in mordred/TopoPSA.py - About 30 mins to fix

    Avoid too many return statements within this function.
    Open

            return 0.0
    Severity: Major
    Found in mordred/TopoPSA.py - About 30 mins to fix

      Avoid too many return statements within this function.
      Open

                          return 32.09
      Severity: Major
      Found in mordred/TopoPSA.py - About 30 mins to fix

        Avoid too many return statements within this function.
        Open

                return 0.0
        Severity: Major
        Found in mordred/TopoPSA.py - About 30 mins to fix

          Avoid too many return statements within this function.
          Open

                              return 8.38
          Severity: Major
          Found in mordred/TopoPSA.py - About 30 mins to fix

            Avoid too many return statements within this function.
            Open

                            return 9.81
            Severity: Major
            Found in mordred/TopoPSA.py - About 30 mins to fix

              Avoid too many return statements within this function.
              Open

                                  return 19.21
              Severity: Major
              Found in mordred/TopoPSA.py - About 30 mins to fix

                Similar blocks of code found in 2 locations. Consider refactoring.
                Open

                        elif nH == 0:
            if cnt == {BondType.SINGLE: 3}:
                return 13.59
            elif cnt == {BondType.SINGLE: 1, BondType.DOUBLE: 1}:
                return 34.14
                Severity: Major
                Found in mordred/TopoPSA.py and 1 other location - About 3 hrs to fix
                mordred/TopoPSA.py on lines 116..123

                Duplicated Code

                Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

                Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

                When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

                Tuning

                This issue has a mass of 67.

                We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

                The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

                If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

                See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

                Refactorings

                Further Reading

                Similar blocks of code found in 2 locations. Consider refactoring.
                Open

                                if cnt == {BondType.SINGLE: 2}:
                    return 25.30
                elif cnt == {BondType.DOUBLE: 1}:
                    return 32.09
                elif cnt == {BondType.SINGLE: 2, BondType.DOUBLE: 1}:
                Severity: Major
                Found in mordred/TopoPSA.py and 1 other location - About 3 hrs to fix
                mordred/TopoPSA.py on lines 87..93

                Duplicated Code

                Duplicated code can lead to software that is hard to understand and difficult to change. The Don't Repeat Yourself (DRY) principle states:

                Every piece of knowledge must have a single, unambiguous, authoritative representation within a system.

                When you violate DRY, bugs and maintenance problems are sure to follow. Duplicated code has a tendency to both continue to replicate and also to diverge (leaving bugs as two similar implementations differ in subtle ways).

                Tuning

                This issue has a mass of 67.

                We set useful threshold defaults for the languages we support but you may want to adjust these settings based on your project guidelines.

                The threshold configuration represents the minimum mass a code block must have to be analyzed for duplication. The lower the threshold, the more fine-grained the comparison.

                If the engine is too easily reporting duplication, try raising the threshold. If you suspect that the engine isn't catching enough duplication, try lowering the threshold. The best setting tends to differ from language to language.

                See codeclimate-duplication's documentation for more information about tuning the mass threshold in your .codeclimate.yml.

                Refactorings

                Further Reading

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