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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