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zincware/MDSuite

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mdsuite/file_io/chemfiles_read.py

Summary

Maintainability
A
1 hr
Test Coverage

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

    def _get_metadata(self) -> TrajectoryMetadata:
        """Get the necessary metadata out of chemfiles.

        Trajectory and the first chemfiles.Frame
        """
Severity: Minor
Found in mdsuite/file_io/chemfiles_read.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

Function _read_process_n_configurations has a Cognitive Complexity of 6 (exceeds 5 allowed). Consider refactoring.
Open

    def _read_process_n_configurations(
        self, traj: chemfiles.Trajectory, n_configs: int
    ) -> mdsuite.database.simulation_database.TrajectoryChunkData:
        """
        Read n configurations and package them into a trajectory chunk of the
Severity: Minor
Found in mdsuite/file_io/chemfiles_read.py - About 25 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

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