def objective(self):
"""
Generate objective function value from this dataset
Returns
-------
obj_val : float
A value for the objective function
"""
phase_list = self._thermo_wrapper()
# Reformat array of results
phase_list, len_list = ff.reformat_output(phase_list)
phase_list = np.transpose(np.array(phase_list))
# objective function
obj_value = ff.obj_function_form(phase_list,
self.thermodict["rhol"],
weights=self.weights["rhol"],
**self.obj_opts)
logger.info("Obj. breakdown for {}: rhol {}".format(
self.name, obj_value))
if np.isnan(obj_value) or obj_value == 0.0:
obj_value = np.inf
return obj_value
def objective(self):
"""
Generate objective function value from this dataset
Returns
-------
obj_val : float
A value for the objective function
"""
# objective function
phase_list = self._thermo_wrapper()
phase_list, len_cluster = ff.reformat_output(phase_list)
phase_list = np.transpose(np.array(phase_list))
obj_value = np.zeros(2)
if "Plist" in self.thermodict:
obj_value[0] = ff.obj_function_form(phase_list[0],
self.thermodict["Plist"],
weights=self.weights["Plist"],
**self.obj_opts)
if self.thermodict["calculation_type"] == "bubble_pressure":
if "yilist" in self.thermodict:
yi = np.transpose(self.thermodict["yilist"])
obj_value[1] = 0
for i in range(len(yi)):
obj_value[1] += ff.obj_function_form(
phase_list[1 + i],
yi[i],
weights=self.weights["yilist"],
**self.obj_opts)
elif self.thermodict["calculation_type"] == "dew_pressure":
if "xilist" in self.thermodict:
xi = np.transpose(self.thermodict["xilist"])
obj_value[1] = 0
for i in range(len(xi)):
obj_value[1] += ff.obj_function_form(
phase_list[1 + i],
xi[i],
weights=self.weights["xilist"],
**self.obj_opts)
logger.info("Obj. breakdown for {}: P {}, zi {}".format(
self.name, obj_value[0], obj_value[1]))
if all([(np.isnan(x) or x == 0.0) for x in obj_value]):
obj_total = np.inf
else:
obj_total = np.nansum(obj_value)
return obj_total
def objective(self):
"""
Generate objective function value from this dataset
Returns
-------
obj_val : float
A value for the objective function
"""
phase_list = self._thermo_wrapper()
## Reformat array of results
phase_list, len_list = ff.reformat_output(phase_list)
phase_list = np.transpose(np.array(phase_list))
# objective function
obj_value = np.zeros(2)
if "delta" in self.thermodict:
obj_value[0] = ff.obj_function_form(
phase_list[0],
self.thermodict["delta"],
weights=self.weights["delta"],
**self.obj_opts
)
if "rhol" in self.thermodict:
obj_value[1] = ff.obj_function_form(
phase_list[1],
self.thermodict["rhol"],
weights=self.weights["rhol"],
**self.obj_opts
)
logger.info(
"Obj. breakdown for {}: delta {}, rhol {}".format(
self.name, obj_value[0], obj_value[1]
)
)
if all([(np.isnan(x) or x == 0.0) for x in obj_value]):
obj_total = np.inf
else:
obj_total = np.nansum(obj_value)
return obj_total