import numpy as np
import time
from alive_progress import alive_bar
import sys
import functools
[docs]
def decorated_init_print(func):
def inner(*args, **kwargs):
if ('name' in kwargs.keys()):
print('inside', kwargs[name])
func(*args,**kwargs)
return inner
[docs]
def decorated_status(func):
@functools.wraps(func) # ← preserves docstring, name, signature
def inner(*args, **kwargs):
for i in range(30): print('--',end=" ")
print()
func(*args,**kwargs)
print()
for i in range(30): print('--',end=" ")
print()
return inner
[docs]
def decorated_progress(func):
@functools.wraps(func) # ← preserves docstring, name, signature
def inner(*args, **kwargs):
if ('name' in kwargs.keys()):
definition = kwargs['name']
else:
definition = 'scf'
for i in range(11): print('--',end=" ")
print(f' Calculation: {definition} ',end=" ")
for i in range(11): print('--',end=" ")
print()
with alive_bar(2, title = f'Running {definition}', force_tty=True, monitor = False) as bar: # your expected total
bar()
time.sleep(0.005)
func(*args,**kwargs)
bar() # call `bar()` at the end
print()
for i in range(30): print('--',end=" ")
print()
return inner
[docs]
def decorated_structure(func):
@functools.wraps(func) # ← preserves docstring, name, signature
def inner(*args, **kwargs):
if ('name' in kwargs.keys()):
definition = kwargs['name']
else:
definition = 'random'
for i in range(12): print('--',end=" ")
print('Structure Info',end=" ")
for i in range(13): print('--',end=" ")
print()
func(*args,**kwargs)
for i in range(30): print('--',end=" ")
print()
return inner
[docs]
def decorated_warning(func):
@functools.wraps(func) # ← preserves docstring, name, signature
def inner(*args, **kwargs):
try:
warn = args[0].__dict__['epw_refresh']
if (warn !=None):
for i in range(13): print('--',end=" ")
print('Warning',end=" ")
for i in range(14): print('--',end=" ")
print()
print('Refreshing EPW input (remove refresh from epw_save.json if not needed)')
for i in range(30): print('--',end=" ")
print()
except KeyError:
pass
func(*args,**kwargs)
return inner
[docs]
def decorated_exit(func):
@functools.wraps(func) # ← preserves docstring, name, signature
def inner(*args, **kwargs):
for i in range(13): print('--',end=" ")
print(' Exit ',end=" ")
for i in range(14): print('--',end=" ")
print()
func(*args,**kwargs)
for i in range(30): print('--',end=" ")
print()
sys.exit()
return inner
[docs]
def decorated_info(func):
def inner(*args, **kwargs):
for i in range(13): print('--',end=" ")
print(' Info ',end=" ")
for i in range(14): print('--',end=" ")
print()
func(*args,**kwargs)
for i in range(30): print('--',end=" ")
print()
return inner
[docs]
def decorated_error(func):
def inner(*args, **kwargs):
try:
return func(*args, **kwargs) # return result
except FileNotFoundError:
print("-- " * 13, "Error", "-- " * 14)
print("File not found error occurred")
print("-- " * 30)
return inner
[docs]
def decorated_warning_pw(func):
def inner(*args, **kwargs):
func(*args,**kwargs)
try:
X=args[0].__dict__['epw_params']['lpolar']
try:
Y=args[0].__dict__['epw_params']['system_2d']
except KeyError:
pass
for i in range(13): print('--',end=" ")
print('Info',end=" ")
for i in range(14): print('--',end=" ")
print()
print('Based on previous pw and ph calculations some parameters are set below')
print(f'lpolar: ', args[0].__dict__['epw_params']['lpolar'],'(related to epsil in ph)')
try:
print(f'system_2d: ', args[0].__dict__['epw_params']['system_2d'],'related to assume_isolated in pw')
except KeyError:
pass
for i in range(30): print('--',end=" ")
print()
except KeyError:
pass
return inner
[docs]
def decorated_warning_transport(func):
def inner(*args, **kwargs):
func(*args,**kwargs)
try:
for i in range(13): print('--',end=" ")
print('Info',end=" ")
for i in range(14): print('--',end=" ")
print()
print('You have chosen transport calculation with values below')
print(f'ncarrier: ', args[0].__dict__['epw_params']['ncarrier'])
print(f'int_mob: ', args[0].__dict__['epw_params']['int_mob'])
print(f'scattering: ', args[0].__dict__['epw_params']['scattering'])
print(f'degaussw: ', args[0].__dict__['epw_params']['degaussw'],'(adaptive smearing)')
for i in range(30): print('--',end=" ")
print()
except KeyError:
pass
return inner
[docs]
def decorated_warning_optics(func):
def inner(*args, **kwargs):
func(*args,**kwargs)
try:
for i in range(13): print('--',end=" ")
print('Info',end=" ")
for i in range(14): print('--',end=" ")
print()
print('You have chosen optics calculation with values below')
print(f'loptabs: ', args[0].__dict__['epw_params']['loptabs'])
print(f'omegamax: ', args[0].__dict__['epw_params']['omegamax'],' eV')
print(f'omegamin: ', args[0].__dict__['epw_params']['omegamin'],' eV')
print(f'omegastep: ', args[0].__dict__['epw_params']['omegastep'],' eV')
print(f'efermi_read: ', args[0].__dict__['epw_params']['efermi_read'])
print(f'fermi_energy: ', args[0].__dict__['epw_params']['fermi_energy'],' eV')
for i in range(30): print('--',end=" ")
print()
except KeyError:
pass
return inner
