Metadata-Version: 1.1
Name: ionize
Version: 0.2.0c
Summary: A package for calculating electrolyte properties.
Home-page: http://lewisamarshall.github.io/ionize/
Author: Lewis A. Marshall
Author-email: lewis.a.marshall@gmail.com
License: LICENSE
Description: ======
        ionize
        ======
        
        A unified Python package for calculating buffer properties.
        
        **ionize** calculates the properties of individual ionic species in
        aqueous solution, as well as aqueous solutions containing arbitrary
        sets of ions.
        
        Components
        =========
        
        **ionize** is composed of three main components:
        
        The Ion Class
        -------------
        The core of **ionize** is the **Ion** class, which  represents a single ionic
        species. An ion contains a name, a set of ionization states, and an optional
        temperature parameter. Each ionization state contains a charge, a pKa, and
        an absolute mobility. An ionization  state may also include values for
        &Delta;H and &Delta;Cp of ionization to improve the accuracy of temperature
        correction.
        
        The Solution Class
        ------------------
        The **Solution** class is used to represent an aqueous solution containing any
        number of ionic species. A **Solution** contains a list of **Ion** objects, and
        a second list containing the concentrations of each species. **Solution** can
        also take an optional temperature parameter. **Solution** solves for pH,
        iteratively accounting for the ionic strength. The ionic strength and pH are
        used to calculate the properties of the **Ions**, and bulk properties of the
        solution such as conductivity.
        
        The ionize Database
        -------------------
        **ionize** also contains its own database, containing the combined entries of
        the Spresso and STEEP databases. This database can be accessed through the
        **load_ion**() and **search_ion**() functions.
        
Platform: UNKNOWN
Classifier: Programming Language :: Python
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v2 (GPLv2)
Classifier: Operating System :: OS Independent
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires: numpy
Requires: scipy
