# Path: pyDFTutils/ase_utils/symbol.py
# def symnum_to_sym(symbol_number):
#     """
#     symnum-> sym. eg: Fe1-> Fe
#     """
#     try:
#         a=re.search('[A-Za-z]+',symbol_number).group()
#         return a
#     except AttributeError:
#         raise AttributeError('%s is not a good symbol_number'%symbol_number)
# 
# Path: pyDFTutils/vasp/vasp_utils.py
# def get_symdict(filename='POSCAR', atoms=None):
#     """
#     get a symbol_number: index dict.
#     """
#     if filename is None and atoms is not None:
#         syms = atoms.get_chemical_symbols()
#     elif filename is not None and atoms is None:
#         syms = read(filename).get_chemical_symbols()
# 
#     symdict = symbol_number(syms)
#     return symdict


from ase.io import read
from ase.calculators.vasp import VaspDos
from os.path import join
from shutil import copyfile
from scipy import trapz,integrate
from pyDFTutils.ase_utils.symbol import symnum_to_sym
from .vasp_utils import get_symdict
from matplotlib.ticker import FormatStrFormatter
from collections import OrderedDict,Iterable
        from scipy.interpolate import interp1d
import numpy as np
import matplotlib.pyplot as plt
import os
import copy
#!/usr/bin/env python

orb_eg=['dx2+','dz2+','dx2-','dz2-']
orb_t2g=['dxy+','dyz+','dxz+','dxy-','dyz-','dxz-']
orb_p=['px+','py+','pz+','px-','py-','pz-']

orb_eg_label=['$d_{x^2+y^2}$+','$d_{z^2}$+','$d_{x^2+y^2}$-','$d_{z^2}$-']
orb_t2g_label=['$d_{xy}$+','$d_{yz}$+','$d_{xz}$+','$d_{xy}$-','$d_{yz}$-','$d_{xz}$-']

# Path: pyDFTutils/ase_utils/symbol.py
# def symnum_to_sym(symbol_number):
#     """
#     symnum-> sym. eg: Fe1-> Fe
#     """
#     try:
#         a=re.search('[A-Za-z]+',symbol_number).group()
#         return a
#     except AttributeError:
#         raise AttributeError('%s is not a good symbol_number'%symbol_number)
# 
# Path: pyDFTutils/vasp/vasp_utils.py
# def get_symdict(filename='POSCAR', atoms=None):
#     """
#     get a symbol_number: index dict.
#     """
#     if filename is None and atoms is not None:
#         syms = atoms.get_chemical_symbols()
#     elif filename is not None and atoms is None:
#         syms = read(filename).get_chemical_symbols()
# 
#     symdict = symbol_number(syms)
#     return symdict


# Path: pyDFTutils/vasp/vasp_dos.py
from ase.io import read
from ase.calculators.vasp import VaspDos
from os.path import join
from shutil import copyfile
from scipy import trapz,integrate
from pyDFTutils.ase_utils.symbol import symnum_to_sym
from .vasp_utils import get_symdict
from matplotlib.ticker import FormatStrFormatter
from collections import OrderedDict,Iterable
        from scipy.interpolate import interp1d
import numpy as np
import matplotlib.pyplot as plt
import os
import copy

#!/usr/bin/env python

orb_eg=['dx2+','dz2+','dx2-','dz2-']
orb_t2g=['dxy+','dyz+','dxz+','dxy-','dyz-','dxz-']
orb_p=['px+','py+','pz+','px-','py-','pz-']

orb_eg_label=['$d_{x^2+y^2}$+','$d_{z^2}$+','$d_{x^2+y^2}$-','$d_{z^2}$-']
orb_t2g_label=['$d_{xy}$+','$d_{yz}$+','$d_{xz}$+','$d_{xy}$-','$d_{yz}$-','$d_{xz}$-']

orb_p_label=['$p_x$+','$p_y$+','$p_z$+','$p_x$-','$p_y$-','$p_z$-']