CHANGES.rst

v0.4.1

• Fixes for enhanced robustness: - .kinetics.ode.get_odesys - .chemistry.as_per_substance_array
• Minor changes.

v0.4.0

• Multiple fixes throughout
• Refactored .equilibria
• .core and .debye_huckel was merged into .electrolytes
• New functions: balance_stoichiometry, mass_fractions
• kwargs one=, exp=, ln= changed throughout to use backend=None (backen=math)
• .chemistry.ArrheniusRate moved (and changed) to .arrhenius.ArrheniusParam
• Equilibrium got a new method: cancel and a new staticmethod: eliminate
• Reaction now raises ValueError if the Reaction has a zero net effect.
• It is now possible to use (parts of) chempy even when only Python stdlib is available
• Substance got a new method: molar_mass, and a two new attributes: unicode_name, html_name
• .util.parsing.to_latex was renamed to formula_to_latex.
• New functions in util.parsing: formula_to_unicode, formula_to_html
• Parsing of crystal water now supported.
• ReactionSystem.__init__ got a new kwarg: substance_factory
• ReactionSystem raises ValueError if it contains duplicate instances of Reaction
• ReactionSystem got new methods: - as_per_substance_dict (inverse of as_per_substance_array) - unimolecular_html_table - bimolecular_html_table
• .kinetics.ode.law_of_mass_action_rates was updated to handle RateExpr
• fix in .properties.sulfuric_acid_density_myhre_1998.density_from_concentration for input with units
• enhancements to .util.deprecation.Deprecation
• .util.stoich.decompose_yields now takes iterable of Reaction instances as second arg.
• .util.table.rsys2tablines now pretty-prints ref={'doi': 'abc123'} too.
• chempy.util.stoich.decompose_yields now takes reactions instead of iterable of dicts (backward incompatible change).

v0.3.5

• More robust setup.py

v0.3.3

• chempy.units.allclose now handles iterables with disparate units.

v0.3.2

• Substance.from_formula now prefers e.g. Fe+3 over Fe/3+, latter deprecated

v0.3.1

• chemistry.Solute deprecated, will be removed in v0.4.0, use chemistry.Species instead
• ReactionSystem now handles "substances" argument more robustely.

v0.3.0

• Signature of chempy.chemistry.Substance changed
• New module chempy.util.parsing, (drop dependency on periodictable)
• EqSystem.root and EqSystem.roots got new kwarg: neqsys_type
• chemistry.Equilibrium learned to handle inactive reactants/products
• chemistry.Reaction dropped kwarg 'k' (deprecated since v0.2.0)

v0.2.0

• Signature of chempy.equilibria.roots, changed.
• Added two new modules: chempy.util.table, chempy.util.graph
• chempy.einstein_smoluchowski added
• Reaction, ReactionSystems now expects stoichs etc. to be given wrt to Substance names.
• Added chempy.chemistry.ArrheniusRate
• EqSystemLog, EqSystemLin -> EqSystem, (NumSysLog, NumSysLin)
• Support for solid phases in equilibria
• Submodules for water properties moved to chempy.properties
• Moved class Equilibrium from .equilibria to .chemistry
• Renamed Reaction.params to Reaction.param
• Added method: Reaction.order()
• Added chempy.properties.sulfuric_acid_density_myhre_1998

v0.1.0

• Initial release