"""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    lowerCAmelCase__    (			_UpperCamelCase       :				Dict[str, torch.Tensor]					)					->				Any:





      """simple docstring"""






      snake_case								=			[]
      snake_case								=			[]
      snake_case								=			[]

      for rt in rc.restypes:
            snake_case								=			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]					)
            snake_case								=			{name: i for i, name in enumerate(__a					)}
            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] * 1_4					)
      restype_atomaa_to_atomaa_list.append([0] * 3_7					)
      restype_atomaa_mask_list.append([0.0] * 1_4					)

      snake_case								=			torch.tensor(
          __a ,			dtype=torch.intaa ,			device=protein['aatype'].device ,			)
      snake_case								=			torch.tensor(
          __a ,			dtype=torch.intaa ,			device=protein['aatype'].device ,			)
      snake_case								=			torch.tensor(
          __a ,			dtype=torch.floataa ,			device=protein['aatype'].device ,			)
      snake_case								=			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
      snake_case								=			restype_atomaa_to_atomaa[protein_aatype]
      snake_case								=			restype_atomaa_mask[protein_aatype]

      snake_case								=			residx_atomaa_mask
      snake_case								=			residx_atomaa_to_atomaa.long()

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

      # create the corresponding mask
      snake_case								=			torch.zeros([2_1, 3_7] ,			dtype=torch.floataa ,			device=protein['aatype'].device					)
      for restype, restype_letter in enumerate(rc.restypes					):
            snake_case								=			rc.restype_atoa[restype_letter]
            snake_case								=			rc.residue_atoms[restype_name]
            for atom_name in atom_names:
                  snake_case								=			rc.atom_order[atom_name]
                  snake_case								=			1

      snake_case								=			restype_atomaa_mask[protein_aatype]
      snake_case								=			residx_atomaa_mask

      return protein





def    lowerCAmelCase__    (			_UpperCamelCase       :				Dict[str, torch.Tensor]					)					->				List[Any]:





      """simple docstring"""






      snake_case								=			tree_map(lambda _UpperCamelCase					: torch.tensor(__a ,			device=batch['aatype'].device					) ,			__a ,			np.ndarray					)
      snake_case								=			tensor_tree_map(lambda _UpperCamelCase					: np.array(__a					) ,			make_atomaa_masks(__a					)					)
      return out



"""simple docstring"""
class   lowerCAmelCase_    (			lowerCAmelCase					):



				"""simple docstring"""
				pass





class   lowerCAmelCase_    (			lowerCAmelCase					):



				"""simple docstring"""
				pass





class   lowerCAmelCase_    :



				"""simple docstring"""

				def __init__(				self    ):






										"""simple docstring"""

										snake_case								=			[
										    [],
										    [],
										    [],
										]

				def 		snake_case (				self		,    lowerCAmelCase		,    lowerCAmelCase    ):






										"""simple docstring"""

										try:
																if len(self.queues[priority]    ) >= 1_00:
																						raise OverflowError('Maximum queue size is 100'    )
																self.queues[priority].append(lowerCAmelCase    )
										except IndexError:
																raise ValueError('Valid priorities are 0, 1, and 2'    )

				def 		snake_case (				self    ):






										"""simple docstring"""

										for queue in self.queues:
																if queue:
																						return queue.pop(0    )
										raise UnderFlowError('All queues are empty'    )

				def __str__(				self    ):






										"""simple docstring"""

										return "\n".join(F"""Priority {i}: {q}""" for i, q in enumerate(self.queues    )    )





class   lowerCAmelCase_    :



				"""simple docstring"""

				def __init__(				self    ):






										"""simple docstring"""

										snake_case								=			[]

				def 		snake_case (				self		,    lowerCAmelCase    ):






										"""simple docstring"""

										if len(self.queue    ) == 1_00:
																raise OverFlowError('Maximum queue size is 100'    )
										self.queue.append(lowerCAmelCase    )

				def 		snake_case (				self    ):






										"""simple docstring"""

										if not self.queue:
																raise UnderFlowError('The queue is empty'    )
										else:
																snake_case								=			min(self.queue    )
																self.queue.remove(lowerCAmelCase    )
																return data

				def __str__(				self    ):






										"""simple docstring"""

										return str(self.queue    )





def    lowerCAmelCase__    (			)					->				int:





						"""simple docstring"""






						snake_case								=			FixedPriorityQueue()
						fpq.enqueue(0 ,			1_0					)
						fpq.enqueue(1 ,			7_0					)
						fpq.enqueue(0 ,			1_0_0					)
						fpq.enqueue(2 ,			1					)
						fpq.enqueue(2 ,			5					)
						fpq.enqueue(1 ,			7					)
						fpq.enqueue(2 ,			4					)
						fpq.enqueue(1 ,			6_4					)
						fpq.enqueue(0 ,			1_2_8					)
						print(_UpperCamelCase					)
						print(fpq.dequeue()					)
						print(fpq.dequeue()					)
						print(fpq.dequeue()					)
						print(fpq.dequeue()					)
						print(fpq.dequeue()					)
						print(_UpperCamelCase					)
						print(fpq.dequeue()					)
						print(fpq.dequeue()					)
						print(fpq.dequeue()					)
						print(fpq.dequeue()					)
						print(fpq.dequeue()					)





def    lowerCAmelCase__    (			)					->				List[str]:





						"""simple docstring"""






						snake_case								=			ElementPriorityQueue()
						epq.enqueue(1_0					)
						epq.enqueue(7_0					)
						epq.enqueue(1_0_0					)
						epq.enqueue(1					)
						epq.enqueue(5					)
						epq.enqueue(7					)
						epq.enqueue(4					)
						epq.enqueue(6_4					)
						epq.enqueue(1_2_8					)
						print(_UpperCamelCase					)
						print(epq.dequeue()					)
						print(epq.dequeue()					)
						print(epq.dequeue()					)
						print(epq.dequeue()					)
						print(epq.dequeue()					)
						print(_UpperCamelCase					)
						print(epq.dequeue()					)
						print(epq.dequeue()					)
						print(epq.dequeue()					)
						print(epq.dequeue()					)
						print(epq.dequeue()					)


if __name__ == "__main__":
					fixed_priority_queue()
					element_priority_queue()


