diff --git a/src/lib/ssbtoolkit.py b/src/lib/ssbtoolkit.py index d2110abf59efd5f2c779752c5a92cfcfe9a5fcf7..c127736307f19e533d7776e8665a69aa7ae4d372 100644 --- a/src/lib/ssbtoolkit.py +++ b/src/lib/ssbtoolkit.py @@ -647,6 +647,9 @@ class simulation: self._PathwayParameters = newparameters.set_index('Parameter').iloc[:,0].to_dict() except: self._PathwayParameters = self._DefaultPathwayParametersDataFrame.set_index('Parameter').iloc[:,0].to_dict() + + elif self._DefaultPathwayParametersDataFrame.empty and self._binding_kinetic_parameters is not None: + self._DefaultPathwayParametersDataFrame = pd.read_csv('src/lib/pathways/{}_parameters.csv'.format(self._pathway)) elif self._DefaultPathwayParametersDataFrame.empty is False and self._binding_kinetic_parameters is not None: try: @@ -670,8 +673,7 @@ class simulation: utils.printProgressBar(0, len(self._lig_conc_range), prefix = "{:<15}".format(ligand_name[:15]), suffix = 'Complete', length = 50) ###DANGER ZONE### - if self._DefaultPathwayParametersDataFrame.empty and self._binding_kinetic_parameters is not None: - self._DefaultPathwayParametersDataFrame = pd.read_csv('src/lib/pathways/{}_parameters.csv'.format(self._pathway)) + if self._binding_kinetic_parameters is not None: self._PathwayParameters = {**self._DefaultPathwayParametersDataFrame.set_index('Parameter').iloc[:,0].to_dict(), **self._binding_kinetic_parameters[self._ligands.index(ligand)]} ######################