diff --git a/phasecalculator/io/phasetransferxmlcreator.py b/phasecalculator/io/phasetransferxmlcreator.py index 0ef4b68dcfe9ed54d4b1e83486d78c1d157f3868..9381a7726458f13f1ff061737f2b95017379ef98 100755 --- a/phasecalculator/io/phasetransferxmlcreator.py +++ b/phasecalculator/io/phasetransferxmlcreator.py @@ -40,7 +40,7 @@ def create_solvent_file(mole_fraction_dict_list, solvent_filename, **kwargs): create. solvent_filename : str Solvent XML output filename. - solvent_filename : str, optional + solvent_info_filename : str, optional Filename for file containing solvent information. Defaults to file in phasexmlcreator module. ssip_filename_list : list of str, optional @@ -70,7 +70,7 @@ def create_phase_file(mole_fraction_dict_list_by_temp, phase_filename, **kwargs) information with dictionaries containing value and unit. phase_filename : str Phase XML output filename. - solvent_filename : str, optional + solvent_info_filename : str, optional Filename for file containing solvent information. Defaults to file in phasexmlcreator module. ssip_filename_list : list of str, optional @@ -139,7 +139,7 @@ def generate_solv_info_list(mole_fraction_dict_list, **kwargs): mole_fraction_dict_list : list of dicts List of dictionaries of name: mole fraction pairs per phase/solvent to create. - solvent_filename : str, optional + solvent_info_filename : str, optional Filename for file containing solvent information. Defaults to file in phasexmlcreator module. ssip_filename_list : list of str, optional @@ -156,7 +156,7 @@ def generate_solv_info_list(mole_fraction_dict_list, **kwargs): compositions. """ - solvent_filename = kwargs.get("solvent_filename", multiassem.solvconcreader.DEFAULT_SOLVENT_INFORMATION_FILE) + solvent_filename = kwargs.get("solvent_info_filename", multiassem.solvconcreader.DEFAULT_SOLVENT_INFORMATION_FILE) ssip_filename_list = kwargs.get("ssip_filename_list",pureinfo.get_ssip_file_dict().values()) name_inchikey_map = kwargs.get("name_inchikey_map", pureinfo.get_name_inchikey_mapping()) return multiassem.generate_solv_info_from_files(mole_fraction_dict_list, solvent_filename, ssip_filename_list, name_inchikey_map)