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def list_methods():
methods = []
if CASRN in Staveley_data.index:
methods.append(STAVELEY)
if Tm(CASRN):
methods.append(MELTING)
methods.append(NONE)
return methods
if AvailableMethods:
methods = []
if CASRN in Staveley_data.index:
methods.append(STAVELEY)
if Tm(CASRN):
methods.append(MELTING)
methods.append(NONE)
return methods
if AvailableMethods:
return list_methods()
if not Method:
Method = list_methods()[0]
if Method == STAVELEY:
Tt = Staveley_data.at[CASRN, "Tt68"]
elif Method == MELTING:
Tt = Tm(CASRN)
elif Method == NONE:
Tt = None
else:
raise Exception('Failure in in function')
return Tt
def set_constant_sources(self):
self.Tm_sources = Tm(CASRN=self.CAS, AvailableMethods=True)
self.Tm_source = self.Tm_sources[0]
self.Tb_sources = Tb(CASRN=self.CAS, AvailableMethods=True)
self.Tb_source = self.Tb_sources[0]
# Critical Point
self.Tc_methods = Tc(self.CAS, AvailableMethods=True)
self.Tc_method = self.Tc_methods[0]
self.Pc_methods = Pc(self.CAS, AvailableMethods=True)
self.Pc_method = self.Pc_methods[0]
self.Vc_methods = Vc(self.CAS, AvailableMethods=True)
self.Vc_method = self.Vc_methods[0]
self.omega_methods = omega(CASRN=self.CAS, AvailableMethods=True)
self.omega_method = self.omega_methods[0]
# Triple point
self.Tt_sources = Tt(self.CAS, AvailableMethods=True)
def set_constants(self):
self.Tm = Tm(self.CAS, Method=self.Tm_source)
self.Tb = Tb(self.CAS, Method=self.Tb_source)
# Critical Point
self.Tc = Tc(self.CAS, Method=self.Tc_method)
self.Pc = Pc(self.CAS, Method=self.Pc_method)
self.Vc = Vc(self.CAS, Method=self.Vc_method)
self.omega = omega(self.CAS, Method=self.omega_method)
self.StielPolar_methods = StielPolar(Tc=self.Tc, Pc=self.Pc, omega=self.omega, CASRN=self.CAS, AvailableMethods=True)
self.StielPolar_method = self.StielPolar_methods[0]
self.StielPolar = StielPolar(Tc=self.Tc, Pc=self.Pc, omega=self.omega, CASRN=self.CAS, Method=self.StielPolar_method)
self.Zc = Z(self.Tc, self.Pc, self.Vc) if all((self.Tc, self.Pc, self.Vc)) else None
self.rhoc = Vm_to_rho(self.Vc, self.MW) if self.Vc else None
self.rhocm = 1./self.Vc if self.Vc else None