mfinzi/LieConv

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corm_data/prepare/process.py

Summary

Maintainability
A
3 hrs
Test Coverage

Function process_xyz_md17 has a Cognitive Complexity of 16 (exceeds 5 allowed). Consider refactoring.
Open

def process_xyz_md17(datafile):
    """
    Read xyz file and return a molecular dict with number of atoms, energy, forces, coordinates and atom-type for the MD-17 dataset.

    Parameters
Severity: Minor
Found in corm_data/prepare/process.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 process_xyz_files has a Cognitive Complexity of 9 (exceeds 5 allowed). Consider refactoring.
Open

def process_xyz_files(data, process_file_fn, file_ext=None, file_idx_list=None, stack=True):
    """
    Take a set of datafiles and apply a predefined data processing script to each
    one. Data can be stored in a directory, tarfile, or zipfile. An optional
    file extension can be added.
Severity: Minor
Found in corm_data/prepare/process.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 process_xyz_files has 5 arguments (exceeds 4 allowed). Consider refactoring.
Open

def process_xyz_files(data, process_file_fn, file_ext=None, file_idx_list=None, stack=True):
Severity: Minor
Found in corm_data/prepare/process.py - About 35 mins to fix

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