def d_rmsad(self):
d = {}
for run_id, d_ele, mad in zipdic(self.d_ae_deviation, self.d_mad):
l_ae_dev = d_ele.values()
rmsad = sum((abs(ae_dev) - mad).e**2
for ae_dev in l_ae_dev) / (len(l_ae_dev) - 1)
d[run_id] = rmsad
return d
def d_ae_deviation(self):
d = defaultdict(dict)
for run_id, d_ae_run_id in self.d_ae.items():
for ele, energy, energy_ref in zipdic(d_ae_run_id, self.d_ae_ref):
d[run_id][ele] = energy - energy_ref
return d
def d_ae_deviation(self):
d = defaultdict(dict)
for run_id, d_ae_run_id in self.d_ae.items():
for ele, energy, energy_ref in zipdic(d_ae_run_id, self.d_ae_ref):
d[run_id][ele] = energy - energy_ref
return d
def d_rmsad(self):
d = {}
for run_id, d_ele, mad in zipdic(self.d_ae_deviation, self.d_mad):
l_ae_dev = d_ele.values()
try:
rmsad = sum((abs(ae_dev) - mad).e ** 2
for ae_dev in l_ae_dev) / (len(l_ae_dev) - 1)
except ZeroDivisionError:
rmsad = 0
d[run_id] = rmsad
return d
