def postrun(self):
#get gradients and save them to the pickle files for ASE
path = self.path
for child in self.children:
res = child.results
name = child.name
# don't rely on gradients beeing numpy arrays
f = [ npa(vec) for vec in self.get_grad(res, eUnit='eV', lUnit='Angstrom') ]
force = -1.0 * npa(self.reorder(res, f))
filename = osPJ(path, name+'.pckl')
with open(filename, 'wb') as f:
pickleDump(force, f, protocol=2)
self.results._vib = self._vib
def postrun(self):
#get gradients and save them to the pickle files for ASE
forces = {}
for name, child in self.children.items():
res = child.results
# don't rely on gradients beeing numpy arrays
f = [
npa(vec) for vec in self.get_grad(
res, energy_unit='eV', dist_unit='Angstrom')
]
forces[name + '.pckl'] = -1.0 * npa(f)
filename = osPJ(self.path, self.name + '.all.pckl')
with open(filename, 'wb') as f:
pickleDump(forces, f, protocol=2)
self.results._vib = self._vib
def __call__(self, *args, **kwargs):
self.handler()
ext = Data.get('Ext', None)
if ext == None:
return Response(dumps({'message': 'Not Found extension'}),
status=404)
else:
txtFile = Data.get('filename', None)
if txtFile == None:
return Response(dumps({'message': 'Not Found text file'}),
status=404)
else:
f = open(txtFile, 'rb')
fl = pickleDump(f.readlines())
f.close()
return Response(dumps({
'data': fl,
'message': 'OK',
'extension': ext,
"IP": self.GetCurrentIp()
}),
status=200)
from pickle import load as pickleLoad,dump as pickleDump
from json import load as jsonLoad,dumps as jsonDumps,dump as jsonDump
from csv import reader,writer,QUOTE_MINIMAL
from struct import pack,unpack
from types import FunctionType
#pickle me permite guardan la informacion tal como es escrita
#el metodo dump me permite agregar
#el metodo load cargar datos
tupla1=('led','cars')
try :
lectura=open('orellyPython/chapter9_x/p18_1.pkl',mode='rb')
print(pickleLoad(lectura))
except FileNotFoundError:
with open('orellyPython/chapter9_x/p18_1.pkl',mode='wb') as f:
pickleDump(tupla1,f)
diccionario1=dict(raza='Rotwailer',nombre='Zeus')
try :
lectura=open('orellyPython/chapter9_x/p18_1.json',mode='r')
print(jsonLoad(lectura))
lectura.close()
except FileNotFoundError:
with open('orellyPython/chapter9_x//p18_1.json',mode='w') as f:
#LA SENTENCIA DESPUES DEL WITH puede ser declarada en fp,osea open(..)
jsonDump(diccionario1,fp=f,indent=4)
#print(jsonDumps(diccionario1,indent=4),file=f)
#f.write(jsonDumps(diccionario1,indent=4))