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File radial_distribution_function.py has 713 lines of code (exceeds 250 allowed). Consider refactoring.
Open

"""
MDSuite: A Zincwarecode package.

License
-------
Severity: Major
Found in mdsuite/calculators/radial_distribution_function.py - About 1 day to fix

    File simulation_database.py has 572 lines of code (exceeds 250 allowed). Consider refactoring.
    Open

    """
MDSuite: A Zincwarecode package.

License
-------
    Severity: Major
    Found in mdsuite/database/simulation_database.py - About 1 day to fix

      File experiment.py has 554 lines of code (exceeds 250 allowed). Consider refactoring.
      Open

      """
MDSuite: A Zincwarecode package.

License
-------
      Severity: Major
      Found in mdsuite/experiment/experiment.py - About 1 day to fix

        File transformations.py has 537 lines of code (exceeds 250 allowed). Consider refactoring.
        Open

        """
MDSuite: A Zincwarecode package.

License
-------
        Severity: Major
        Found in mdsuite/transformations/transformations.py - About 1 day to fix

          File angular_distribution_function.py has 495 lines of code (exceeds 250 allowed). Consider refactoring.
          Open

          """
MDSuite: A Zincwarecode package.

License
-------
          Severity: Minor
          Found in mdsuite/calculators/angular_distribution_function.py - About 7 hrs to fix

            Function batch_generator has a Cognitive Complexity of 48 (exceeds 5 allowed). Consider refactoring.
            Open

                def batch_generator(  # noqa: C901
        self,
        dictionary: bool = False,
        system: bool = False,
        remainder: bool = False,
            Severity: Minor
            Found in mdsuite/database/data_manager.py - About 7 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

            File meta_functions.py has 433 lines of code (exceeds 250 allowed). Consider refactoring.
            Open

            """
MDSuite: A Zincwarecode package.

License
-------
            Severity: Minor
            Found in mdsuite/utils/meta_functions.py - About 6 hrs to fix

              File nernst_einstein_ionic_conductivity.py has 352 lines of code (exceeds 250 allowed). Consider refactoring.
              Open

              """
MDSuite: A Zincwarecode package.

License
-------
              Severity: Minor
              Found in mdsuite/calculators/nernst_einstein_ionic_conductivity.py - About 4 hrs to fix

                File molecular_graph.py has 351 lines of code (exceeds 250 allowed). Consider refactoring.
                Open

                """
MDSuite: A Zincwarecode package.

License
-------
                Severity: Minor
                Found in mdsuite/graph_modules/molecular_graph.py - About 4 hrs to fix

                  File experiment_database.py has 347 lines of code (exceeds 250 allowed). Consider refactoring.
                  Open

                  """
MDSuite: A Zincwarecode package.

License
-------
                  Severity: Minor
                  Found in mdsuite/database/experiment_database.py - About 4 hrs to fix

                    File trajectory_calculator.py has 340 lines of code (exceeds 250 allowed). Consider refactoring.
                    Open

                    """
MDSuite: A Zincwarecode package.

License
-------
                    Severity: Minor
                    Found in mdsuite/calculators/trajectory_calculator.py - About 4 hrs to fix

                      RunComputation has 32 functions (exceeds 20 allowed). Consider refactoring.
                      Open

                      class RunComputation:
    """Collection of all calculators that can be used by an experiment."""

    def __init__(
        self, experiment: Experiment = None, experiments: List[Experiment] = None
                      Severity: Minor
                      Found in mdsuite/experiment/run.py - About 4 hrs to fix

                        File coordination_number_calculation.py has 325 lines of code (exceeds 250 allowed). Consider refactoring.
                        Open

                        """
MDSuite: A Zincwarecode package.

License
-------
                        Severity: Minor
                        Found in mdsuite/calculators/coordination_number_calculation.py - About 3 hrs to fix

                          File memory_manager.py has 319 lines of code (exceeds 250 allowed). Consider refactoring.
                          Open

                          """
MDSuite: A Zincwarecode package.

License
-------
                          Severity: Minor
                          Found in mdsuite/memory_management/memory_manager.py - About 3 hrs to fix

                            File potential_of_mean_force.py has 308 lines of code (exceeds 250 allowed). Consider refactoring.
                            Open

                            """
MDSuite: A Zincwarecode package.

License
-------
                            Severity: Minor
                            Found in mdsuite/calculators/potential_of_mean_force.py - About 3 hrs to fix

                              File data_manager.py has 304 lines of code (exceeds 250 allowed). Consider refactoring.
                              Open

                              """
MDSuite: A Zincwarecode package.

License
-------
                              Severity: Minor
                              Found in mdsuite/database/data_manager.py - About 3 hrs to fix

                                File structure_factor.py has 303 lines of code (exceeds 250 allowed). Consider refactoring.
                                Open

                                """
MDSuite: A Zincwarecode package.

License
-------
                                Severity: Minor
                                Found in mdsuite/calculators/structure_factor.py - About 3 hrs to fix

                                  File green_kubo_distinct_diffusion_coefficients.py has 300 lines of code (exceeds 250 allowed). Consider refactoring.
                                  Open

                                  """
MDSuite: A Zincwarecode package.

License
-------
                                  Severity: Minor
                                  Found in mdsuite/calculators/green_kubo_distinct_diffusion_coefficients.py - About 3 hrs to fix

                                    Function _perform_graph_decomposition has a Cognitive Complexity of 21 (exceeds 5 allowed). Consider refactoring.
                                    Open

                                        def _perform_graph_decomposition(self, adjacency_matrix: tf.Tensor) -> dict:
        """
        Reduce an adjacency matrix into a linear combination of sub-matrices.

        This is the process of graph decomposition in which one large graph is
                                    Severity: Minor
                                    Found in mdsuite/graph_modules/molecular_graph.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

                                    File einstein_distinct_diffusion_coefficients.py has 284 lines of code (exceeds 250 allowed). Consider refactoring.
                                    Open

                                    """
MDSuite: A Zincwarecode package.

License
-------
                                    Severity: Minor
                                    Found in mdsuite/calculators/einstein_distinct_diffusion_coefficients.py - About 2 hrs to fix
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