#!/usr/bin/env python # -*- coding: utf-8 -*- # utilisations de elements.py & molmass.py # source : http://www.lfd.uci.edu/~gohlke/ # test des routines sur les formules chimiques # mars 2020 : adaptation python 3 from molmass import * def info(object, spacing=10, collapse=1): """Print methods and doc strings. Takes module, class, list, dictionary, or string.""" methodList = [method for method in dir(object) if callable(getattr(object, method))] processFunc = collapse and (lambda s: " ".join(s.split())) or (lambda s: s) print("\n".join(["%s %s" % (method.ljust(spacing), processFunc(str(getattr(object, method).__doc__))) for method in methodList])) f = Formula('CHCl3') #f = Formula('C2H2Cl6') line='____________________________________________________________' print(line) print(dir(f)) print(line) print(info(f)) print(line) print(f.composition()) print(line) print(f.isotope) print(line) print(f.isotope.mass) print(line) print(f.isotope.massnumber) print(line) print(f.mass) print(line) print(f.formula, f.gcd, f.empirical) print(line) print(f.spectrum()) print(line) print(f.atoms) print(line) print(analyze ('CHCl3')) print(line) print(f, type(f)) print(line)