


'''simple docstring'''







import importlib.metadata
import subprocess
import sys


def      SCREAMING_SNAKE_CASE_ (  _UpperCAmelCase     :     bool = False  )  ->      Tuple:
       _a   :			Optional[int]					 =False
       if "IPython" in sys.modules:
              _a   :			Union[str, Any]					 ="""google.colab""" in str(sys.modules["""IPython"""].get_ipython()  )

       if in_colab:
              if upgrade:
                     _a   :			int					 =["""pip""", """install""", """-U""", """torch"""]
                     subprocess.run(_UpperCAmelCase   ,check=_UpperCAmelCase  )
              # get the current version of torch
              _a   :			Dict					 =importlib.metadata.version("""torch"""  )
              _a   :			Any					 =torch_version[: torch_version.rindex("""."""  )]
              _a   :			Optional[Any]					 =F"https://storage.googleapis.com/tpu-pytorch/wheels/colab/torch_xla-{torch_version_trunc}-cp37-cp37m-linux_x86_64.whl"
              _a   :			Any					 =["""pip""", """install""", xla_wheel]
              subprocess.run(_UpperCAmelCase   ,check=_UpperCAmelCase  )
       else:
              raise RuntimeError("""`install_xla` utility works only on google colab."""  )






'''simple docstring'''







from typing import Dict, Optional, Tuple

import torch


def      SCREAMING_SNAKE_CASE_ (  _UpperCAmelCase     :     torch.Tensor  )  ->      torch.Tensor:
       _a   :			Tuple					 =boundaries[1] - boundaries[0]
       _a   :			Dict					 =boundaries + step / 2
       _a   :			List[Any]					 =torch.cat([bin_centers, (bin_centers[-1] + step).unsqueeze(-1  )]   ,dim=0  )
       return bin_centers


def      SCREAMING_SNAKE_CASE_ (  _UpperCAmelCase     :     torch.Tensor   ,_UpperCAmelCase     :     torch.Tensor   ,)  ->      Tuple[torch.Tensor, torch.Tensor]:
       _a   :			Any					 =_calculate_bin_centers(_UpperCAmelCase  )
       return (
           torch.sum(aligned_distance_error_probs * bin_centers   ,dim=-1  ),
           bin_centers[-1],
       )


def      SCREAMING_SNAKE_CASE_ (  _UpperCAmelCase     :     torch.Tensor   ,_UpperCAmelCase     :     int = 31   ,_UpperCAmelCase     :     int = 64   ,**_UpperCAmelCase     :     Dict   ,)  ->      Dict[str, torch.Tensor]:
       _a   :			Dict					 =torch.linspace(0   ,_UpperCAmelCase   ,steps=(no_bins - 1)   ,device=logits.device  )

       _a   :			int					 =torch.nn.functional.softmax(_UpperCAmelCase   ,dim=-1  )
       _a ,   _a   :			List[Any]					 =_calculate_expected_aligned_error(
           alignment_confidence_breaks=_UpperCAmelCase   ,aligned_distance_error_probs=_UpperCAmelCase   ,)

       return {
           "aligned_confidence_probs": aligned_confidence_probs,
           "predicted_aligned_error": predicted_aligned_error,
           "max_predicted_aligned_error": max_predicted_aligned_error,
       }


def      SCREAMING_SNAKE_CASE_ (  _UpperCAmelCase     :     torch.Tensor   ,_UpperCAmelCase     :     Optional[torch.Tensor] = None   ,_UpperCAmelCase     :     int = 31   ,_UpperCAmelCase     :     int = 64   ,_UpperCAmelCase     :     float = 1e-8   ,**_UpperCAmelCase     :     Optional[Any]   ,)  ->      torch.Tensor:
       if residue_weights is None:
              _a   :			Dict					 =logits.new_ones(logits.shape[-2]  )

       _a   :			str					 =torch.linspace(0   ,_UpperCAmelCase   ,steps=(no_bins - 1)   ,device=logits.device  )

       _a   :			Optional[int]					 =_calculate_bin_centers(_UpperCAmelCase  )
       torch.sum(_UpperCAmelCase  )
       _a   :			List[str]					 =logits.shape[-2]
       _a   :			List[Any]					 =max(_UpperCAmelCase   ,19  )

       _a   :			Union[str, Any]					 =1.2_4 * (clipped_n - 15) ** (1.0 / 3) - 1.8

       _a   :			Tuple					 =torch.nn.functional.softmax(_UpperCAmelCase   ,dim=-1  )

       _a   :			Dict					 =1.0 / (1 + (bin_centers**2) / (da**2))
       _a   :			int					 =torch.sum(probs * tm_per_bin   ,dim=-1  )

       _a   :			List[Any]					 =residue_weights / (eps + residue_weights.sum())
       _a   :			List[str]					 =torch.sum(predicted_tm_term * normed_residue_mask   ,dim=-1  )

       _a   :			int					 =per_alignment * residue_weights

       _a   :			List[Any]					 =(weighted == torch.max(_UpperCAmelCase  )).nonzero()[0]
       return per_alignment[tuple(_UpperCAmelCase  )]


