diff --git a/llepe/llepe.py b/llepe/llepe.py index 7208fe6..338fedb 100644 --- a/llepe/llepe.py +++ b/llepe/llepe.py @@ -74,7 +74,7 @@ class LLEPE: Naming does not matter, just the order. Where {ES_1}-{ES_N} are the extracted species names of interest - i.e. Nd, Pr, La, etc. + e.g. Nd, Pr, La, etc. Below is an explanation of the columns. @@ -111,12 +111,12 @@ class LLEPE: In aqueous phase: aq_solvent_name, H+, OH-, Cl-, ES_1, ES_2, ..., ES_N - (ES_1-ES_N) represent ES ion names i.e. Nd+++, Pr+++ + (ES_1-ES_N) represent ES ion names e.g. Nd+++, Pr+++ In organic phase : extractant_name, diluant_name, ES_1, ES_2, ..., ES_N (ES_1-ES_N) represent ES complex names - i.e. Nd(H(A)2)3(org), Pr(H(A)2)3(org) + e.g. Nd(H(A)2)3(org), Pr(H(A)2)3(org) :param phase_names: (list) names of phases in xml file @@ -131,7 +131,7 @@ class LLEPE: :param extracted_species_list: (list) names of extracted species elements. If ``None``, extracted_species_list will be extracted_species_ion_names - without '+' i.e. 'Nd+++'->'Nd' + without '+' e.g. 'Nd+++'->'Nd' :param aq_solvent_rho: (float) density of solvent (g/L) @@ -202,7 +202,7 @@ class LLEPE: | ES distribution ratio | predicted_dict['{ES}_d_eq'] | +---------------------------+--------------------------------+ - Replace "{ES}" with extracted species element i.e. Nd, La, etc. + Replace "{ES}" with extracted species element e.g. Nd, La, etc. For measured values, use the same names, but replace ``predicted_dict`` with ``measured_df`` @@ -781,7 +781,7 @@ class LLEPE: extracted_species_charges * extracted_species_moles) anion_moles = extracted_species_charge_sum + h_plus_moles # TODO: Replace feed_vol in line 785 and line 787 with - # oa_ratio*feed_vol (oa_ratio from restructured DataFrame) + # row['oa_ratio']*feed_vol (oa_ratio from restructured DataFrame) extractant_moles = feed_vol * row['z_i'] extractant_vol = extractant_moles * extractant_mw / extractant_rho diluant_vol = feed_vol - extractant_vol @@ -940,7 +940,7 @@ class LLEPE: self._custom_objects_dict = custom_objects_dict return None - # TODO: Change DataFrame strucutre to contain info whether to set + # TODO: Change DataFrame structure to contain info whether to set # equilibrium pH to measured value. Will be useful for saponification # TODO: Find way to add saponification to model. # Maybe use fsolve to match experimental equilibrium pH @@ -1264,7 +1264,7 @@ class LLEPE: Default compared value is {ES_1}_aq_eq :param compared_value: (str) Quantity to compare predicted and - experimental data. Can be any column containing "eq" in exp_df i.e. + experimental data. Can be any column containing "eq" in exp_df e.g. h_eq, z_eq, {ES}_d_eq, etc. :param plot_title: (str or boolean) @@ -1402,7 +1402,7 @@ class LLEPE: Closer to 1, the better the model's predictions. :param compared_value: (str) Quantity to compare predicted and - experimental data. Can be any column containing "eq" in exp_df i.e. + experimental data. Can be any column containing "eq" in exp_df e.g. h_eq, z_eq, {ES}_d_eq, etc. default is {ES}_aq_eq """ exp_df = self.get_exp_df()