
'''simple docstring'''




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


lowercase     :							List[Any]       						=     Mapping[str, np.ndarray]
lowercase     :							List[Any]       						=     Mapping[str, Any]  # Is a nested dict.
lowercase     :							Tuple       						=     0.01





@dataclasses.dataclass(frozen=__snake_case		)
class 					A							:
     __magic_name__          =						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'.
     __magic_name__          =						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.
     __magic_name__          =						42  # [num_res, num_atom_type]

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

     # Chain indices for multi-chain predictions
     __magic_name__          =						None

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

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

     # Chain corresponding to each parent
     __magic_name__          =						None







def 						lowerCAmelCase_							(  snake_case__		):




    '''simple docstring'''



    A			:  Union[str, Any]   =		R'''(\[[A-Z]+\]\n)'''
    A			:  List[str]   =		[tag.strip() for tag in re.split(snake_case__						,							snake_case__		) if len(snake_case__		) > 0]
    A			:  Iterator[Tuple[str, List[str]]]   =		zip(tags[0::2]						,							[l.split('''\n'''		) for l in tags[1::2]]		)

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

    assert aatype is not None

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







def 						lowerCAmelCase_							(  snake_case__						,							snake_case__ = 0		):




    '''simple docstring'''



    A			:  List[str]   =		[]

    A			:  Optional[Any]   =		prot.remark
    if remark is not None:
        pdb_headers.append(F'REMARK {remark}'		)

    A			:  int   =		prot.parents
    A			:  Any   =		prot.parents_chain_index
    if parents is not None and parents_chain_index is not None:
        A			:  Dict   =		[p for i, p in zip(snake_case__						,							snake_case__		) if i == chain_id]

    if parents is None or len(snake_case__		) == 0:
        A			:  Tuple   =		['''N/A''']

    pdb_headers.append(F'PARENT {" ".join(snake_case__		)}'		)

    return pdb_headers







def 						lowerCAmelCase_							(  snake_case__						,							snake_case__		):




    '''simple docstring'''



    A			:  List[str]   =		[]
    A			:  str   =		pdb_str.split('''\n'''		)

    A			:  Optional[Any]   =		prot.remark
    if remark is not None:
        out_pdb_lines.append(F'REMARK {remark}'		)

    A			:  List[List[str]]
    if prot.parents is not None and len(prot.parents		) > 0:
        A			:  Tuple   =		[]
        if prot.parents_chain_index is not None:
            A			:  Dict[str, List[str]]   =		{}
            for p, i in zip(prot.parents						,							prot.parents_chain_index		):
                parent_dict.setdefault(str(snake_case__		)						,							[]		)
                parent_dict[str(snake_case__		)].append(snake_case__		)

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

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

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

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

            out_pdb_lines.append(make_parent_line(snake_case__		)		)

    return "\n".join(snake_case__		)







def 						lowerCAmelCase_							(  snake_case__		):




    '''simple docstring'''



    A			:  Optional[int]   =		residue_constants.restypes + ['''X''']

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

    A			:  Tuple   =		residue_constants.atom_types

    A			:  List[str]   =		[]

    A			:  Optional[Any]   =		prot.atom_mask
    A			:  Union[str, Any]   =		prot.aatype
    A			:  List[str]   =		prot.atom_positions
    A			:  int   =		prot.residue_index.astype(np.intaa		)
    A			:  Tuple   =		prot.b_factors
    A			:  Tuple   =		prot.chain_index

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

    A			:  int   =		get_pdb_headers(snake_case__		)
    if len(snake_case__		) > 0:
        pdb_lines.extend(snake_case__		)

    A			:  int   =		aatype.shape[0]
    A			:  Tuple   =		1
    A			:  Tuple   =		0
    A			:  str   =		string.ascii_uppercase
    A			:  Union[str, Any]   =		None
    # Add all atom sites.
    for i in range(snake_case__		):
        A			:  List[str]   =		res_atoa(aatype[i]		)
        for atom_name, pos, mask, b_factor in zip(snake_case__						,							atom_positions[i]						,							atom_mask[i]						,							b_factors[i]		):
            if mask < 0.5:
                continue

            A			:  Optional[int]   =		'''ATOM'''
            A			:  List[Any]   =		atom_name if len(snake_case__		) == 4 else F' {atom_name}'
            A			:  Optional[int]   =		''''''
            A			:  Any   =		''''''
            A			:  Union[str, Any]   =		1.00
            A			:  Optional[Any]   =		atom_name[0]  # Protein supports only C, N, O, S, this works.
            A			:  int   =		''''''

            A			:  Union[str, Any]   =		'''A'''
            if chain_index is not None:
                A			:  int   =		chain_tags[chain_index[i]]

            # PDB is a columnar format, every space matters here!
            A			:  Any   =		(
                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(snake_case__		)
            atom_index += 1

        A			:  Any   =		i == n - 1
        if chain_index is not None:
            if i != n - 1 and chain_index[i + 1] != prev_chain_index:
                A			:  List[str]   =		True
                A			:  List[Any]   =		chain_index[i + 1]

        if should_terminate:
            # Close the chain.
            A			:  int   =		'''TER'''
            A			:  Optional[int]   =		(
                F'{chain_end:<6}{atom_index:>5}      {res_atoa(aatype[i]		):>3} {chain_tag:>1}{residue_index[i]:>4}'
            )
            pdb_lines.append(snake_case__		)
            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(snake_case__						,							snake_case__		)		)

    pdb_lines.append('''END'''		)
    pdb_lines.append(''''''		)
    return "\n".join(snake_case__		)







def 						lowerCAmelCase_							(  snake_case__		):




    '''simple docstring'''



    return residue_constants.STANDARD_ATOM_MASK[prot.aatype]







def 						lowerCAmelCase_							(  snake_case__						,							snake_case__						,							snake_case__ = None						,							snake_case__ = None						,							snake_case__ = None						,							snake_case__ = None						,							snake_case__ = 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=snake_case__						,							remark=snake_case__						,							parents=snake_case__						,							parents_chain_index=snake_case__						,							)






'''simple docstring'''




def 						lowerCAmelCase_							(  snake_case__		):




    '''simple docstring'''



    if len(snake_case__		) <= 1:
        return [tuple(snake_case__		)]

    A			:  int   =		[]

    def generate(snake_case__						,							snake_case__		):
        if k == 1:
            res.append(tuple(arr[:]		)		)
            return

        generate(k - 1						,							snake_case__		)

        for i in range(k - 1		):
            if k % 2 == 0:  # k is even
                A,    A			:  Any   =		arr[k - 1], arr[i]
            else:  # k is odd
                A,    A			:  List[str]   =		arr[k - 1], arr[0]
            generate(k - 1						,							snake_case__		)

    generate(len(snake_case__		)						,							snake_case__		)
    return res


if __name__ == "__main__":
      lowercase     :							int       						=     input('Enter numbers separated by a comma:\n').strip()
      lowercase     :							Dict       						=     [int(item) for item in user_input.split(',')]
      print(heaps(arr))




