From 1bdfd5267ed39e599662c7618be3105464cafe98 Mon Sep 17 00:00:00 2001 From: olga Date: Tue, 17 Dec 2019 12:13:55 -0800 Subject: [PATCH] - Bug fix in README --- README.md | 46 +++++++++++++++++++++++----------------------- 1 file changed, 23 insertions(+), 23 deletions(-) diff --git a/README.md b/README.md index 47a81b8..eaf5c91 100644 --- a/README.md +++ b/README.md @@ -37,62 +37,62 @@ mp = MaterialParser(verbose=False, pubchem_lookup=False, fails_log=False) #### Primary functionality - * mp.parse_material_string(material_string) - ``` - main method to compile string of chemical terms/formulas into data structure + * Main method to compile string of chemical terms/formulas into data structure + ``` + mp.parse_material_string(material_string) ``` - * mp.string2formula(material_string) + * Method to convert chemical name into formula ``` - method to convert chemical name into formula + mp.string2formula(material_string) ``` - * mp.formula2composition(chemical_formula) + * Method to compile chemical formula into data structure containing composition ``` - method to compile chemical formula into data structure containing composition + mp.formula2composition(chemical_formula) ``` #### Auxiliary functions - * mp.separate_additives(material_string) + * Extracting snippets of the string recognized as doped elements, stabilizers, coatings, activators, etc. ``` - extracts snippets of the string recognized as doped elements, stabilizers, coatings, activators, etc. + mp.separate_additives(material_string) ``` - * mp.split_formula_into_compounds(material_string) + * Spliting mixtures, alloys, composites, etc into list of constituting compounds with their fractions ``` - splits mixtures, alloys, composites, etc into list of constituting compounds with their fractions + mp.split_formula_into_compounds(material_string) ``` - * mp.get_species(material_string) + * Extracting species from material string ``` - extract species from material string + mp.get_species(material_string) ``` #### Additional functionality - * mp.build_acronyms_dict(list_of_materials, text) + * Constructing dictionary of acronyms based on provided list of materials strings and text ``` - constructs dictionary of acronyms based on provided list of materials strings and text + mp.build_acronyms_dict(list_of_materials, text) ``` - * mp.get_elements_values(variable, text) + * Looking for the values of elements variables in the text ``` - looks for the values of elements variables in the text + mp.get_elements_values(variable, text) ``` - * mp.get_stoichiometric_values(variable, text) + * Looking for the values of the variables for stoichiometric amounts in the text ``` - looks for the values of the variables for stoichiometric amounts in the text + mp.get_stoichiometric_values(variable, text) ``` - * mp.split_materials_list(material_string) + * Spliting in into list of chemical names material string in the format list of cations+anion ``` - for material string in the format list of cations+anion, splits in into list of chemical names + mp.split_materials_list(material_string) ``` - * mp.substitute_additives(list_of_additives, data_structure) + * Substituting doped elements into original chemical formula to complete total stoiciometry to integer value ``` - substitutes doped elements into original chemical formula to complete total stoiciometry to integer value + mp.substitute_additives(list_of_additives, data_structure) ``` #### Citing