# Path: molml/constants.py
# ELE_TO_NUM = bidict({
#     'H': 1,
#     'C': 6,
#     'N': 7,
#     'O': 8,
#     'F': 9,
#     'P': 15,
#     'S': 16,
#     'Cl': 17,
#     'Br': 35,
#     'I': 53,
#     'Se': 34
# })
# 
# TYPE_ORDER = ['1', 'Ar', '2', '3']
# 
# BOND_LENGTHS = {
#     "C": {
#         "3":   0.62,
#         "2":   0.69,
#         "Ar": 0.72,
#         "1":   0.85,
#     },
#     "Cl": {
#         "1":   1.045,
#     },
#     "F": {
#         "1":   1.23,
#     },
#     "H": {
#         "1":   0.6,
#     },
#     "N": {
#         "3":   0.565,
#         "2":   0.63,
#         "Ar": 0.655,
#         "1":   0.74,
#     },
#     "O": {
#         "3":   0.53,
#         "2":   0.59,
#         "Ar": 0.62,
#         "1":   0.695,
#     },
#     "P": {
#         "2":   0.945,
#         "Ar": 0.985,
#         "1":   1.11,
#     },
#     "S": {
#         "2":   0.905,
#         "Ar": 0.945,
#         "1":   1.07,
#     },
# }
# 
# UNKNOWN = 'UNKNOWN'


from builtins import range
from collections import Counter
from itertools import product, combinations
from scipy.spatial.distance import cdist
from scipy.special import expit
from .constants import ELE_TO_NUM, TYPE_ORDER, BOND_LENGTHS, UNKNOWN
import importlib
import json
import warnings
import numpy
import scipy.stats
            A dictionary of the feature parameters.
    """
    parts = string.split('__')
    name = parts[0]
    params = parts[1:]
    swap = {
        'None': None,
        'True': True,
        'False': False,
    }
    final_params = dict()
    for param in params:
        arg, value = param.split('=')
        try:
            value = int(value)
        except ValueError:
            try:
                value = float(value)
            except ValueError:
                pass
        if value in swap:
            value = swap[value]
        final_params[arg] = value
    return name, final_params


def cosine_decay(R, r_cut=6.):
    r"""
    Compute all the cutoff distances.


# Path: molml/constants.py
# ELE_TO_NUM = bidict({
#     'H': 1,
#     'C': 6,
#     'N': 7,
#     'O': 8,
#     'F': 9,
#     'P': 15,
#     'S': 16,
#     'Cl': 17,
#     'Br': 35,
#     'I': 53,
#     'Se': 34
# })
# 
# TYPE_ORDER = ['1', 'Ar', '2', '3']
# 
# BOND_LENGTHS = {
#     "C": {
#         "3":   0.62,
#         "2":   0.69,
#         "Ar": 0.72,
#         "1":   0.85,
#     },
#     "Cl": {
#         "1":   1.045,
#     },
#     "F": {
#         "1":   1.23,
#     },
#     "H": {
#         "1":   0.6,
#     },
#     "N": {
#         "3":   0.565,
#         "2":   0.63,
#         "Ar": 0.655,
#         "1":   0.74,
#     },
#     "O": {
#         "3":   0.53,
#         "2":   0.59,
#         "Ar": 0.62,
#         "1":   0.695,
#     },
#     "P": {
#         "2":   0.945,
#         "Ar": 0.985,
#         "1":   1.11,
#     },
#     "S": {
#         "2":   0.905,
#         "Ar": 0.945,
#         "1":   1.07,
#     },
# }
# 
# UNKNOWN = 'UNKNOWN'


# Path: molml/utils.py
from builtins import range
from collections import Counter
from itertools import product, combinations
from scipy.spatial.distance import cdist
from scipy.special import expit
from .constants import ELE_TO_NUM, TYPE_ORDER, BOND_LENGTHS, UNKNOWN
import importlib
import json
import warnings
import numpy
import scipy.stats

            A dictionary of the feature parameters.
    """
    parts = string.split('__')
    name = parts[0]
    params = parts[1:]
    swap = {
        'None': None,
        'True': True,
        'False': False,
    }
    final_params = dict()
    for param in params:
        arg, value = param.split('=')
        try:
            value = int(value)
        except ValueError:
            try:
                value = float(value)
            except ValueError:
                pass
        if value in swap:
            value = swap[value]
        final_params[arg] = value
    return name, final_params


def cosine_decay(R, r_cut=6.):
    r"""
    Compute all the cutoff distances.


    The cutoff is defined as