



import dataclasses
import re
import string
from typing import Any, Dict, Iterator, List, Mapping, Optional, Sequence, Tuple

import numpy as np

from . import residue_constants


a_						:     Union[str, Any]	     =		Mapping[str, np.ndarray]
a_						:     int	     =		Mapping[str, Any]  # Is a nested dict.
a_						:     List[str]	     =		0.01





@dataclasses.dataclass(frozen=UpperCAmelCase_)
class    lowerCamelCase__  :
     """simple docstring"""



     _A       =			42  # [num_res, num_atom_type, 3]

     # Amino-acid type for each residue represented as an integer between 0 and
     # 20, where 20 is 'X'.
     _A       =			42  # [num_res]

     # Binary float mask to indicate presence of a particular atom. 1.0 if an atom
     # is present and 0.0 if not. This should be used for loss masking.
     _A       =			42  # [num_res, num_atom_type]

     # Residue index as used in PDB. It is not necessarily continuous or 0-indexed.
     _A       =			42  # [num_res]

     # B-factors, or temperature factors, of each residue (in sq. angstroms units),
     # representing the displacement of the residue from its ground truth mean
     # value.
     _A       =			42  # [num_res, num_atom_type]

     # Chain indices for multi-chain predictions
     _A       =			None

     # Optional remark about the protein. Included as a comment in output PDB
     # files
     _A       =			None

     # Templates used to generate this protein (prediction-only)
     _A       =			None

     # Chain corresponding to each parent
     _A       =			None



def     __lowercase(	UpperCAmelCase__ ):


      """simple docstring"""



      lowerCamelCase								=		r"(\[[A-Z]+\]\n)"
      lowerCamelCase								=		[tag.strip() for tag in re.split(UpperCAmelCase__   ,   UpperCAmelCase__ ) if len(UpperCAmelCase__ ) > 0]
      lowerCamelCase								=		zip(tags[0::2]   ,   [l.split("\n" ) for l in tags[1::2]] )

      lowerCamelCase								=		["N", "CA", "C"]
      lowerCamelCase								=		None
      lowerCamelCase								=		None
      lowerCamelCase								=		None
      for g in groups:
            if "[PRIMARY]" == g[0]:
                  lowerCamelCase								=		g[1][0].strip()
                  for i in range(len(UpperCAmelCase__ ) ):
                        if seq[i] not in residue_constants.restypes:
                              lowerCamelCase								=		"X"  # FIXME: strings are immutable
                  lowerCamelCase								=		np.array(
                      [residue_constants.restype_order.get(UpperCAmelCase__   ,   residue_constants.restype_num ) for res_symbol in seq] )
            elif "[TERTIARY]" == g[0]:
                  lowerCamelCase								=		[]
                  for axis in range(3 ):
                        tertiary.append(list(map(UpperCAmelCase__   ,   g[1][axis].split() ) ) )
                  lowerCamelCase								=		np.array(UpperCAmelCase__ )
                  lowerCamelCase								=		np.zeros((len(tertiary[0] ) // 3, residue_constants.atom_type_num, 3) ).astype(np.floataa )
                  for i, atom in enumerate(UpperCAmelCase__ ):
                        lowerCamelCase								=		np.transpose(tertiary_np[:, i::3] )
                  atom_positions *= PICO_TO_ANGSTROM
            elif "[MASK]" == g[0]:
                  lowerCamelCase								=		np.array(list(map({"-": 0, "+": 1}.get   ,   g[1][0].strip() ) ) )
                  lowerCamelCase								=		np.zeros(
                      (
                          len(UpperCAmelCase__ ),
                          residue_constants.atom_type_num,
                      ) ).astype(np.floataa )
                  for i, atom in enumerate(UpperCAmelCase__ ):
                        lowerCamelCase								=		1
                  atom_mask *= mask[..., None]

      assert aatype is not None

      return Protein(
          atom_positions=UpperCAmelCase__   ,   atom_mask=UpperCAmelCase__   ,   aatype=UpperCAmelCase__   ,   residue_index=np.arange(len(UpperCAmelCase__ ) )   ,   b_factors=UpperCAmelCase__   ,   )

def     __lowercase(	UpperCAmelCase__   ,   UpperCAmelCase__ = 0 ):


      """simple docstring"""



      lowerCamelCase								=		[]

      lowerCamelCase								=		prot.remark
      if remark is not None:
            pdb_headers.append(F"""REMARK {remark}""" )

      lowerCamelCase								=		prot.parents
      lowerCamelCase								=		prot.parents_chain_index
      if parents is not None and parents_chain_index is not None:
            lowerCamelCase								=		[p for i, p in zip(UpperCAmelCase__   ,   UpperCAmelCase__ ) if i == chain_id]

      if parents is None or len(UpperCAmelCase__ ) == 0:
            lowerCamelCase								=		["N/A"]

      pdb_headers.append(F"""PARENT {" ".join(UpperCAmelCase__ )}""" )

      return pdb_headers

def     __lowercase(	UpperCAmelCase__   ,   UpperCAmelCase__ ):


      """simple docstring"""



      lowerCamelCase								=		[]
      lowerCamelCase								=		pdb_str.split("\n" )

      lowerCamelCase								=		prot.remark
      if remark is not None:
            out_pdb_lines.append(F"""REMARK {remark}""" )

      lowerCamelCase								=		42
      if prot.parents is not None and len(prot.parents ) > 0:
            lowerCamelCase								=		[]
            if prot.parents_chain_index is not None:
                  lowerCamelCase								=		{}
                  for p, i in zip(prot.parents   ,   prot.parents_chain_index ):
                        parent_dict.setdefault(str(UpperCAmelCase__ )   ,   [] )
                        parent_dict[str(UpperCAmelCase__ )].append(UpperCAmelCase__ )

                  lowerCamelCase								=		max([int(UpperCAmelCase__ ) for chain_idx in parent_dict] )
                  for i in range(max_idx + 1 ):
                        lowerCamelCase								=		parent_dict.get(str(UpperCAmelCase__ )   ,   ["N/A"] )
                        parents_per_chain.append(UpperCAmelCase__ )
            else:
                  parents_per_chain.append(list(prot.parents ) )
      else:
            lowerCamelCase								=		[["N/A"]]

      def make_parent_line(UpperCAmelCase__ ) -> str:
            return F"""PARENT {" ".join(UpperCAmelCase__ )}"""

      out_pdb_lines.append(make_parent_line(parents_per_chain[0] ) )

      lowerCamelCase								=		0
      for i, l in enumerate(UpperCAmelCase__ ):
            if "PARENT" not in l and "REMARK" not in l:
                  out_pdb_lines.append(UpperCAmelCase__ )
            if "TER" in l and "END" not in lines[i + 1]:
                  chain_counter += 1
                  if not chain_counter >= len(UpperCAmelCase__ ):
                        lowerCamelCase								=		parents_per_chain[chain_counter]
                  else:
                        lowerCamelCase								=		["N/A"]

                  out_pdb_lines.append(make_parent_line(UpperCAmelCase__ ) )

      return "\n".join(UpperCAmelCase__ )

def     __lowercase(	UpperCAmelCase__ ):


      """simple docstring"""



      lowerCamelCase								=		residue_constants.restypes + ["X"]

      def res_atoa(UpperCAmelCase__ ) -> str:
            return residue_constants.restype_atoa.get(restypes[r]   ,   "UNK" )

      lowerCamelCase								=		residue_constants.atom_types

      lowerCamelCase								=		[]

      lowerCamelCase								=		prot.atom_mask
      lowerCamelCase								=		prot.aatype
      lowerCamelCase								=		prot.atom_positions
      lowerCamelCase								=		prot.residue_index.astype(np.intaa )
      lowerCamelCase								=		prot.b_factors
      lowerCamelCase								=		prot.chain_index

      if np.any(aatype > residue_constants.restype_num ):
            raise ValueError("Invalid aatypes." )

      lowerCamelCase								=		get_pdb_headers(UpperCAmelCase__ )
      if len(UpperCAmelCase__ ) > 0:
            pdb_lines.extend(UpperCAmelCase__ )

      lowerCamelCase								=		aatype.shape[0]
      lowerCamelCase								=		1
      lowerCamelCase								=		0
      lowerCamelCase								=		string.ascii_uppercase
      lowerCamelCase								=		None
      # Add all atom sites.
      for i in range(UpperCAmelCase__ ):
            lowerCamelCase								=		res_atoa(aatype[i] )
            for atom_name, pos, mask, b_factor in zip(UpperCAmelCase__   ,   atom_positions[i]   ,   atom_mask[i]   ,   b_factors[i] ):
                  if mask < 0.5:
                        continue

                  lowerCamelCase								=		"ATOM"
                  lowerCamelCase								=		atom_name if len(UpperCAmelCase__ ) == 4 else F""" {atom_name}"""
                  lowerCamelCase								=		""
                  lowerCamelCase								=		""
                  lowerCamelCase								=		1.0_0
                  lowerCamelCase								=		atom_name[0]  # Protein supports only C, N, O, S, this works.
                  lowerCamelCase								=		""

                  lowerCamelCase								=		"A"
                  if chain_index is not None:
                        lowerCamelCase								=		chain_tags[chain_index[i]]

                  # PDB is a columnar format, every space matters here!
                  lowerCamelCase								=		(
                      F"""{record_type:<6}{atom_index:>5} {name:<4}{alt_loc:>1}"""
                      F"""{res_name_a:>3} {chain_tag:>1}"""
                      F"""{residue_index[i]:>4}{insertion_code:>1}   """
                      F"""{pos[0]:>8.3f}{pos[1]:>8.3f}{pos[2]:>8.3f}"""
                      F"""{occupancy:>6.2f}{b_factor:>6.2f}          """
                      F"""{element:>2}{charge:>2}"""
                  )
                  pdb_lines.append(UpperCAmelCase__ )
                  atom_index += 1

            lowerCamelCase								=		i == n - 1
            if chain_index is not None:
                  if i != n - 1 and chain_index[i + 1] != prev_chain_index:
                        lowerCamelCase								=		True
                        lowerCamelCase								=		chain_index[i + 1]

            if should_terminate:
                  # Close the chain.
                  lowerCamelCase								=		"TER"
                  lowerCamelCase								=		(
                      F"""{chain_end:<6}{atom_index:>5}      {res_atoa(aatype[i] ):>3} {chain_tag:>1}{residue_index[i]:>4}"""
                  )
                  pdb_lines.append(UpperCAmelCase__ )
                  atom_index += 1

                  if i != n - 1:
                        # "prev" is a misnomer here. This happens at the beginning of
                        # each new chain.
                        pdb_lines.extend(get_pdb_headers(UpperCAmelCase__   ,   UpperCAmelCase__ ) )

      pdb_lines.append("END" )
      pdb_lines.append("" )
      return "\n".join(UpperCAmelCase__ )

def     __lowercase(	UpperCAmelCase__ ):


      """simple docstring"""



      return residue_constants.STANDARD_ATOM_MASK[prot.aatype]






def     __lowercase(	UpperCAmelCase__   ,   UpperCAmelCase__   ,   UpperCAmelCase__ = None   ,   UpperCAmelCase__ = None   ,   UpperCAmelCase__ = None   ,   UpperCAmelCase__ = None   ,   UpperCAmelCase__ = None   ,   ):


      """simple docstring"""



      return Protein(
          aatype=features["aatype"]   ,   atom_positions=result["final_atom_positions"]   ,   atom_mask=result["final_atom_mask"]   ,   residue_index=features["residue_index"] + 1   ,   b_factors=b_factors if b_factors is not None else np.zeros_like(result["final_atom_mask"] )   ,   chain_index=UpperCAmelCase__   ,   remark=UpperCAmelCase__   ,   parents=UpperCAmelCase__   ,   parents_chain_index=UpperCAmelCase__   ,   )




import gc
import unittest

from diffusers import FlaxStableDiffusionInpaintPipeline
from diffusers.utils import is_flax_available, load_image, slow
from diffusers.utils.testing_utils import require_flax


if is_flax_available():
     import jax
     import jax.numpy as jnp
     from flax.jax_utils import replicate
     from flax.training.common_utils import shard





@slow
@require_flax
class    lowerCamelCase__  (						unittest.TestCase):
     """simple docstring"""



     def 						_a      (self    ):






           '''simple docstring'''



           super().tearDown()
           gc.collect()







     def 						_a      (self    ):






           '''simple docstring'''



           lowerCamelCase								=		load_image(
               "https://huggingface.co/datasets/hf-internal-testing/diffusers-images/resolve/main"
               "/sd2-inpaint/init_image.png"    )
           lowerCamelCase								=		load_image(
               "https://huggingface.co/datasets/hf-internal-testing/diffusers-images/resolve/main/sd2-inpaint/mask.png"    )

           lowerCamelCase								=		"xvjiarui/stable-diffusion-2-inpainting"
           lowerCamelCase			,							lowerCamelCase								=		FlaxStableDiffusionInpaintPipeline.from_pretrained(__a				,			safety_checker=__a    )

           lowerCamelCase								=		"Face of a yellow cat, high resolution, sitting on a park bench"

           lowerCamelCase								=		jax.random.PRNGKey(0    )
           lowerCamelCase								=		50

           lowerCamelCase								=		jax.device_count()
           lowerCamelCase								=		num_samples * [prompt]
           lowerCamelCase								=		num_samples * [init_image]
           lowerCamelCase								=		num_samples * [mask_image]
           lowerCamelCase			,							lowerCamelCase			,							lowerCamelCase								=		pipeline.prepare_inputs(__a				,			__a				,			__a    )

           # shard inputs and rng
           lowerCamelCase								=		replicate(__a    )
           lowerCamelCase								=		jax.random.split(__a				,			jax.device_count()    )
           lowerCamelCase								=		shard(__a    )
           lowerCamelCase								=		shard(__a    )
           lowerCamelCase								=		shard(__a    )

           lowerCamelCase								=		pipeline(
               __a				,			__a				,			__a				,			__a				,			__a				,			__a				,			jit=__a    )

           lowerCamelCase								=		output.images.reshape(__a				,			5_12				,			5_12				,			3    )

           lowerCamelCase								=		images[0, 2_53:2_56, 2_53:2_56, -1]

           lowerCamelCase								=		jnp.asarray(jax.device_get(image_slice.flatten()    )    )
           lowerCamelCase								=		jnp.array(
               [0.361_1307, 0.3764_9736, 0.375_7408, 0.3821_3953, 0.3929_5167, 0.384_1631, 0.4155_4978, 0.413_7475, 0.421_7084]    )
           print(F"""output_slice: {output_slice}"""    )
           assert jnp.abs(output_slice - expected_slice    ).max() < 1E-2