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zincware/MDSuite

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mdsuite/graph_modules/molecular_graph.py

Summary

Maintainability
C
7 hrs
Test Coverage

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

    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

    Function __init__ has a Cognitive Complexity of 7 (exceeds 5 allowed). Consider refactoring.
    Open

        def __init__(
        self,
        experiment: Experiment,
        molecule_input_data: Molecule,
    ):
    Severity: Minor
    Found in mdsuite/graph_modules/molecular_graph.py - About 35 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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