


from __future__ import annotations

from collections.abc import MutableSequence

class     a		:




							"""simple docstring"""


							def __init__(							self	:  int   ,     lowerCamelCase	:  int   ,     lowerCamelCase	:  MutableSequence[float]    )     ->   None:
														if len(lowerCamelCase    ) != degree + 1:
																					raise ValueError(
																					    "The number of coefficients should be equal to the degree + 1."    )

														__snake_case		:      list[float]										=       list(lowerCamelCase    )
														__snake_case		:      Optional[Any]										=       degree

							def __add__(							self	:  Any   ,     lowerCamelCase	:  Polynomial    )     ->   Polynomial:

														if self.degree > polynomial_a.degree:
																					__snake_case		:      Any										=       self.coefficients[:]
																					for i in range(polynomial_a.degree + 1    ):
																												coefficients[i] += polynomial_a.coefficients[i]
																					return Polynomial(self.degree   ,     lowerCamelCase    )
														else:
																					__snake_case		:      List[str]										=       polynomial_a.coefficients[:]
																					for i in range(self.degree + 1    ):
																												coefficients[i] += self.coefficients[i]
																					return Polynomial(polynomial_a.degree   ,     lowerCamelCase    )

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

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

							def __mul__(							self	:  Dict   ,     lowerCamelCase	:  Polynomial    )     ->   Polynomial:
														__snake_case		:      list[float]										=       [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    __snake_case (							self	:  Any   ,     lowerCamelCase	:  int | float    )     ->   int | float:
														__snake_case		:      int | float										=       0
														for i in range(self.degree + 1    ):
																					result += self.coefficients[i] * (substitution**i)
														return result

							def __str__(							self	:  Dict    )     ->   str:
														__snake_case		:      Any										=       ""
														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	:  int    )     ->   str:
														return self.__str__()

							def    __snake_case (							self	:  Dict    )     ->   Polynomial:
														__snake_case		:      list[float]										=       [0] * self.degree
														for i in range(self.degree    ):
																					__snake_case		:      List[Any]										=       self.coefficients[i + 1] * (i + 1)
														return Polynomial(self.degree - 1   ,     lowerCamelCase    )

							def    __snake_case (							self	:  int   ,     lowerCamelCase	:  int | float = 0    )     ->   Polynomial:
														__snake_case		:      list[float]										=       [0] * (self.degree + 2)
														__snake_case		:      Optional[Any]										=       constant
														for i in range(self.degree + 1    ):
																					__snake_case		:      List[str]										=       self.coefficients[i] / (i + 1)
														return Polynomial(self.degree + 1   ,     lowerCamelCase    )

							def __eq__(							self	:  Tuple   ,     lowerCamelCase	:  object    )     ->   bool:
														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	:  List[Any]   ,     lowerCamelCase	:  object    )     ->   bool:
														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     lowerCAmelCase_					( __lowerCamelCase     ):
							__snake_case		:      Any										=       []
							__snake_case		:      Optional[Any]										=       []
							__snake_case		:      List[Any]										=       []

							for rt in rc.restypes:
														__snake_case		:      Any										=       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		:      Tuple										=       {name: i for i, name in enumerate(__lowerCamelCase     )}
														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		:      int										=       torch.tensor(
							    __lowerCamelCase							,     dtype=torch.intaa							,     device=protein["aatype"].device							,     )
							__snake_case		:      List[str]										=       torch.tensor(
							    __lowerCamelCase							,     dtype=torch.intaa							,     device=protein["aatype"].device							,     )
							__snake_case		:      Optional[Any]										=       torch.tensor(
							    __lowerCamelCase							,     dtype=torch.floataa							,     device=protein["aatype"].device							,     )
							__snake_case		:      Optional[int]										=       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		:      Optional[Any]										=       restype_atomaa_to_atomaa[protein_aatype]
							__snake_case		:      Tuple										=       restype_atomaa_mask[protein_aatype]

							__snake_case		:      Optional[Any]										=       residx_atomaa_mask
							__snake_case		:      Union[str, Any]										=       residx_atomaa_to_atomaa.long()

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

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

							__snake_case		:      List[str]										=       restype_atomaa_mask[protein_aatype]
							__snake_case		:      List[str]										=       residx_atomaa_mask

							return protein







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

