import operator as op


__lowercase							 =					'''scaler.pt'''
__lowercase							 =					'''pytorch_model'''
__lowercase							 =					'''random_states'''
__lowercase							 =					'''optimizer'''
__lowercase							 =					'''scheduler'''
__lowercase							 =					'''pytorch_model.bin'''
__lowercase							 =					'''pytorch_model.bin.index.json'''
__lowercase							 =					'''model.safetensors'''
__lowercase							 =					'''model.safetensors.index.json'''
__lowercase							 =					'''1.10.2'''
__lowercase							 =					'''py38'''
__lowercase							 =					'''4.17.0'''
__lowercase							 =					['''ml.p3.16xlarge''', '''ml.p3dn.24xlarge''', '''ml.p4dn.24xlarge''']
__lowercase							 =					['''FULL_SHARD''', '''SHARD_GRAD_OP''', '''NO_SHARD''', '''HYBRID_SHARD''', '''HYBRID_SHARD_ZERO2''']
__lowercase							 =					['''TRANSFORMER_BASED_WRAP''', '''SIZE_BASED_WRAP''', '''NO_WRAP''']
__lowercase							 =					['''BACKWARD_PRE''', '''BACKWARD_POST''', '''NO_PREFETCH''']
__lowercase							 =					['''FULL_STATE_DICT''', '''LOCAL_STATE_DICT''', '''SHARDED_STATE_DICT''']
__lowercase							 =					'''2.0.1'''
__lowercase							 =					['''pdsh''', '''standard''', '''openmpi''', '''mvapich''']
__lowercase							 =					['''default''', '''reduce-overhead''', '''max-autotune''']

__lowercase							 =					{'''>''': op.gt, '''>=''': op.ge, '''==''': op.eq, '''!=''': op.ne, '''<=''': op.le, '''<''': op.lt}

# These are the args for `torch.distributed.launch` for pytorch < 1.9
__lowercase							 =					[
    '''nnodes''',
    '''nproc_per_node''',
    '''rdzv_backend''',
    '''rdzv_endpoint''',
    '''rdzv_id''',
    '''rdzv_conf''',
    '''standalone''',
    '''max_restarts''',
    '''monitor_interval''',
    '''start_method''',
    '''role''',
    '''module''',
    '''m''',
    '''no_python''',
    '''run_path''',
    '''log_dir''',
    '''r''',
    '''redirects''',
    '''t''',
    '''tee''',
    '''node_rank''',
    '''master_addr''',
    '''master_port''',
]

__lowercase							 =					['''DEEPSPEED''', '''MULTI_GPU''', '''FSDP''', '''MEGATRON_LM''']
__lowercase							 =					['''DEEPSPEED''', '''MULTI_XPU''', '''FSDP''']







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					(    __lowerCamelCase     : Dict[str, torch.Tensor]    ):
       snake_case       :   List[str]							=      []
       snake_case       :   Optional[int]							=      []
       snake_case       :   Any							=      []

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

       snake_case       :   Optional[Any]							=      torch.tensor(
           __lowerCamelCase				,					dtype=torch.intaa				,					device=protein["aatype"].device				,					)
       snake_case       :   List[Any]							=      torch.tensor(
           __lowerCamelCase				,					dtype=torch.intaa				,					device=protein["aatype"].device				,					)
       snake_case       :   int							=      torch.tensor(
           __lowerCamelCase				,					dtype=torch.floataa				,					device=protein["aatype"].device				,					)
       snake_case       :   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       :   List[Any]							=      restype_atomaa_to_atomaa[protein_aatype]
       snake_case       :   str							=      restype_atomaa_mask[protein_aatype]

       snake_case       :   str							=      residx_atomaa_mask
       snake_case       :   Any							=      residx_atomaa_to_atomaa.long()

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

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

       snake_case       :   List[Any]							=      restype_atomaa_mask[protein_aatype]
       snake_case       :   int							=      residx_atomaa_mask

       return protein




def 			UpperCamelCase					(    __lowerCamelCase     : Dict[str, torch.Tensor]    ):
       snake_case       :   Dict							=      tree_map(lambda __lowerCamelCase    : torch.tensor(__lowerCamelCase				,					device=batch["aatype"].device    )				,					__lowerCamelCase				,					np.ndarray    )
       snake_case       :   List[str]							=      tensor_tree_map(lambda __lowerCamelCase    : np.array(__lowerCamelCase    )				,					make_atomaa_masks(__lowerCamelCase    )    )
       return out





