def OnFitButton(self, event): model = self.model_choice.GetStringSelection() try: eos = EOS(eos_name=model) fit = eos.fit(self.volumes, self.energies, vol_unit=self.vol_unit, ene_unit=self.ene_unit) print(fit) fit.plot() except: awx.showErrorMessage(self)
def test_fit(self): """Test EOS fit""" for eos_name in EOS.MODELS: eos = EOS(eos_name=eos_name) fit = eos.fit(self.volumes, self.energies) print(fit)