





from __future__ import annotations

from collections.abc import MutableSequence

class     __SCREAMING_SNAKE_CASE   :






							def __init__(  self					,	__lowerCAmelCase					,	__lowerCAmelCase					):
														if len(__lowerCAmelCase					) != degree + 1:
																					raise ValueError(
																					    """The number of coefficients should be equal to the degree + 1."""					)

														UpperCamelCase__			       =     list(__lowerCAmelCase					)
														UpperCamelCase__			       =     degree






							def __add__(  self					,	__lowerCAmelCase					):

														if self.degree > polynomial_a.degree:
																					UpperCamelCase__			       =     self.coefficients[:]
																					for i in range(polynomial_a.degree + 1					):
																												coefficients[i] += polynomial_a.coefficients[i]
																					return Polynomial(self.degree					,	__lowerCAmelCase					)
														else:
																					UpperCamelCase__			       =     polynomial_a.coefficients[:]
																					for i in range(self.degree + 1					):
																												coefficients[i] += self.coefficients[i]
																					return Polynomial(polynomial_a.degree					,	__lowerCAmelCase					)






							def __sub__(  self					,	__lowerCAmelCase					):
														return self + polynomial_a * Polynomial(0					,	[-1]					)






							def __neg__(  self					):
														return Polynomial(self.degree					,	[-c for c in self.coefficients]					)






							def __mul__(  self					,	__lowerCAmelCase					):
														UpperCamelCase__			       =     [0] * (self.degree + polynomial_a.degree + 1)
														for i in range(self.degree + 1					):
																					for j in range(polynomial_a.degree + 1					):
																												coefficients[i + j] += (
																												    self.coefficients[i] * polynomial_a.coefficients[j]
																												)

														return Polynomial(self.degree + polynomial_a.degree					,	__lowerCAmelCase					)






							def 			_lowerCamelCase						(  self					,	__lowerCAmelCase					):
														UpperCamelCase__			       =     0
														for i in range(self.degree + 1					):
																					result += self.coefficients[i] * (substitution**i)
														return result






							def __str__(  self					):
														UpperCamelCase__			       =     """"""
														for i in range(self.degree					,	-1					,	-1					):
																					if self.coefficients[i] == 0:
																												continue
																					elif self.coefficients[i] > 0:
																												if polynomial:
																																			polynomial += " + "
																					else:
																												polynomial += " - "

																					if i == 0:
																												polynomial += str(abs(self.coefficients[i]					)					)
																					elif i == 1:
																												polynomial += str(abs(self.coefficients[i]					)					) + "x"
																					else:
																												polynomial += str(abs(self.coefficients[i]					)					) + "x^" + str(__lowerCAmelCase					)

														return polynomial






							def __repr__(  self					):
														return self.__str__()






							def 			_lowerCamelCase						(  self					):
														UpperCamelCase__			       =     [0] * self.degree
														for i in range(self.degree					):
																					UpperCamelCase__			       =     self.coefficients[i + 1] * (i + 1)
														return Polynomial(self.degree - 1					,	__lowerCAmelCase					)






							def 			_lowerCamelCase						(  self					,	__lowerCAmelCase = 0					):
														UpperCamelCase__			       =     [0] * (self.degree + 2)
														UpperCamelCase__			       =     constant
														for i in range(self.degree + 1					):
																					UpperCamelCase__			       =     self.coefficients[i] / (i + 1)
														return Polynomial(self.degree + 1					,	__lowerCAmelCase					)






							def __eq__(  self					,	__lowerCAmelCase					):
														if not isinstance(__lowerCAmelCase					,	__lowerCAmelCase					):
																					return False

														if self.degree != polynomial_a.degree:
																					return False

														for i in range(self.degree + 1					):
																					if self.coefficients[i] != polynomial_a.coefficients[i]:
																												return False

														return True







							def __ne__(  self					,	__lowerCAmelCase					):
														return not self.__eq__(__lowerCAmelCase					)











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       (a__				:Dict[str, torch.Tensor]    ):






							"""simple docstring"""





							UpperCamelCase__			       =     []
							UpperCamelCase__			       =     []
							UpperCamelCase__			       =     []

							for rt in rc.restypes:
														UpperCamelCase__			       =     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]    )
														UpperCamelCase__			       =     {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] * 14    )
							restype_atomaa_to_atomaa_list.append([0] * 37    )
							restype_atomaa_mask_list.append([0.0] * 14    )

							UpperCamelCase__			       =     torch.tensor(
							    a__				,     dtype=torch.intaa				,     device=protein["""aatype"""].device				,     )
							UpperCamelCase__			       =     torch.tensor(
							    a__				,     dtype=torch.intaa				,     device=protein["""aatype"""].device				,     )
							UpperCamelCase__			       =     torch.tensor(
							    a__				,     dtype=torch.floataa				,     device=protein["""aatype"""].device				,     )
							UpperCamelCase__			       =     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
							UpperCamelCase__			       =     restype_atomaa_to_atomaa[protein_aatype]
							UpperCamelCase__			       =     restype_atomaa_mask[protein_aatype]

							UpperCamelCase__			       =     residx_atomaa_mask
							UpperCamelCase__			       =     residx_atomaa_to_atomaa.long()

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

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

							UpperCamelCase__			       =     restype_atomaa_mask[protein_aatype]
							UpperCamelCase__			       =     residx_atomaa_mask

							return protein





def       _UpperCamelCase       (a__				:Dict[str, torch.Tensor]    ):






							"""simple docstring"""





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




