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mfinzi/LieConv

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Function download_dataset_md17 has 5 arguments (exceeds 4 allowed). Consider refactoring.
Open

def download_dataset_md17(datadir, dataname, subset, splits=None, cleanup=True):
Severity: Minor
Found in corm_data/prepare/md17.py - About 35 mins to fix

    Function __init__ has 5 arguments (exceeds 4 allowed). Consider refactoring.
    Open

        def __init__(self, num_targets=1,k=150,num_layers=4,sys_dim=2, d=2):
    Severity: Minor
    Found in lie_conv/dynamicsTrainer.py - About 35 mins to fix

      Function farthest_ball_point has 5 arguments (exceeds 4 allowed). Consider refactoring.
      Open

      def farthest_ball_point(radius,nsample,xyz,new_xyz,distance=square_distance):
      Severity: Minor
      Found in lie_conv/utils.py - About 35 mins to fix

        Function WeightNet has 5 arguments (exceeds 4 allowed). Consider refactoring.
        Open

        def WeightNet(in_dim,out_dim,act,bn,k=32):
        Severity: Minor
        Found in lie_conv/lieConv.py - About 35 mins to fix

          Function download_dataset_md17 has a Cognitive Complexity of 7 (exceeds 5 allowed). Consider refactoring.
          Open

          def download_dataset_md17(datadir, dataname, subset, splits=None, cleanup=True):
    """
    Downloads the MD17 dataset.
    """
    if subset not in md17_subsets:
          Severity: Minor
          Found in corm_data/prepare/md17.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

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

              def extract_neighborhood(self,inp,query_indices):
        """ inputs: [pairs_abq (bs,n,n,d), inp_vals (bs,n,c), mask (bs,n), query_indices (bs,m)]
            outputs: [neighbor_abq (bs,m,mc_samples,d), neighbor_vals (bs,m,mc_samples,c)]"""

        # Subsample pairs_ab, inp_vals, mask to the query_indices
          Severity: Minor
          Found in lie_conv/lieConv.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

          Function download_dataset_qm9 has a Cognitive Complexity of 6 (exceeds 5 allowed). Consider refactoring.
          Open

          def download_dataset_qm9(datadir, dataname, splits=None, calculate_thermo=True, exclude=True, cleanup=True):
    """
    Download and prepare the QM9 (GDB9) dataset.
    """
    # Define directory for which data will be output.
          Severity: Minor
          Found in corm_data/prepare/qm9.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

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

          def _get_species(datasets, ignore_check=False):
    """
    Generate a list of all species.

    Includes a check that each split contains examples of every species in the
          Severity: Minor
          Found in corm_data/utils.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

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

          def add_thermo_targets(data, therm_energy_dict):
    """
    Adds a new molecular property, which is the thermochemical energy.

    Parameters
          Severity: Minor
          Found in corm_data/prepare/qm9.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

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

          def get_thermo_dict(gdb9dir, cleanup=True):
    """
    Get dictionary of thermochemical energy to subtract off from
    properties of molecules.
          Severity: Minor
          Found in corm_data/prepare/qm9.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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