





'''simple docstring'''

from typing import Dict

import numpy as np
import torch

from . import residue_constants as rc
from .tensor_utils import tensor_tree_map, tree_map







def 							UpperCAmelCase_    (	lowerCAmelCase_							):

				"""simple docstring"""






				lowercase         = []
				lowercase         = []
				lowercase         = []

				for rt in rc.restypes:
								lowercase         = rc.restype_name_to_atomaa_names[rc.restype_atoa[rt]]
								restype_atomaa_to_atomaa_list.append([(rc.atom_order[name] if name else 0) for name in atom_names]							)
								lowercase         = {name: i for i, name in enumerate(snake_case_							)}
								restype_atomaa_to_atomaa_list.append(
								    [(atom_name_to_idxaa[name] if name in atom_name_to_idxaa else 0) for name in rc.atom_types]							)

								restype_atomaa_mask_list.append([(1.0 if name else 0.0) for name in atom_names]							)

				# Add dummy mapping for restype 'UNK'
				restype_atomaa_to_atomaa_list.append([0] * 14							)
				restype_atomaa_to_atomaa_list.append([0] * 37							)
				restype_atomaa_mask_list.append([0.0] * 14							)

				lowercase         = torch.tensor(
				    snake_case_		,							dtype=torch.intaa		,							device=protein["aatype"].device		,							)
				lowercase         = torch.tensor(
				    snake_case_		,							dtype=torch.intaa		,							device=protein["aatype"].device		,							)
				lowercase         = torch.tensor(
				    snake_case_		,							dtype=torch.floataa		,							device=protein["aatype"].device		,							)
				lowercase         = protein["aatype"].to(torch.long							)

				# create the mapping for (residx, atom14) --> atom37, i.e. an array
				# with shape (num_res, 14) containing the atom37 indices for this protein
				lowercase         = restype_atomaa_to_atomaa[protein_aatype]
				lowercase         = restype_atomaa_mask[protein_aatype]

				lowercase         = residx_atomaa_mask
				lowercase         = residx_atomaa_to_atomaa.long()

				# create the gather indices for mapping back
				lowercase         = restype_atomaa_to_atomaa[protein_aatype]
				lowercase         = residx_atomaa_to_atomaa.long()

				# create the corresponding mask
				lowercase         = torch.zeros([21, 37]		,							dtype=torch.floataa		,							device=protein["aatype"].device							)
				for restype, restype_letter in enumerate(rc.restypes							):
								lowercase         = rc.restype_atoa[restype_letter]
								lowercase         = rc.residue_atoms[restype_name]
								for atom_name in atom_names:
												lowercase         = rc.atom_order[atom_name]
												lowercase         = 1

				lowercase         = restype_atomaa_mask[protein_aatype]
				lowercase         = residx_atomaa_mask

				return protein







def 							UpperCAmelCase_    (	lowerCAmelCase_							):

				"""simple docstring"""






				lowercase         = tree_map(lambda lowerCAmelCase_							: torch.tensor(snake_case_		,							device=batch["aatype"].device							)		,							snake_case_		,							np.ndarray							)
				lowercase         = tensor_tree_map(lambda lowerCAmelCase_							: np.array(snake_case_							)		,							make_atomaa_masks(snake_case_							)							)
				return out











'''simple docstring'''

# Algorithm for the pigeonhole sorting









def 							UpperCAmelCase_    (	lowerCAmelCase_							):

				"""simple docstring"""






				lowercase         = min(lowerCAmelCase_							)  # min() finds the minimum value
				lowercase         = max(lowerCAmelCase_							)  # max() finds the maximum value

				lowercase         = max_val - min_val + 1  # size is difference of max and min values plus one

				# list of pigeonholes of size equal to the variable size
				lowercase         = [0] * size

				# Populate the pigeonholes.
				for x in a:
								assert isinstance(lowerCAmelCase_		,							lowerCAmelCase_							), "integers only please"
								holes[x - min_val] += 1

				# Putting the elements back into the array in an order.
				lowercase         = 0
				for count in range(lowerCAmelCase_							):
								while holes[count] > 0:
												holes[count] -= 1
												lowercase         = count + min_val
												i += 1







def 							UpperCAmelCase_    (	):

				"""simple docstring"""






				lowercase         = [8, 3, 2, 7, 4, 6, 8]
				pigeonhole_sort(lowerCAmelCase_							)
				print("Sorted order is:"		,							" ".join(lowerCAmelCase_							)							)


if __name__ == "__main__":
			main()




