Merge pull request #46 from bjodah/ode-multi-units

Support integration of parameter series with units

.drone.yml

@@ -1,9 +1,13 @@
 build:
  image: bjodah/bjodahimg16dev:latest
+ environment:
+ - CPLUS_INCLUDE_PATH=/opt/boost_1_63_0/include
+ - LIBRARY_PATH=/opt/boost_1_63_0/lib
+ - LD_LIBRARY_PATH=/opt/boost_1_63_0/lib
  commands:
  - bash -c '[[ $(python setup.py --version) =~ ^[0-9]+.* ]]'
  - export CPLUS_INCLUDE_PATH=/opt/boost_1_63_0
- - ./scripts/ci.sh chempy
+ - PYCVODES_LAPACK=lapack,blas ./scripts/ci.sh chempy
  - (cd examples/; python -m pip install --force bokeh==0.11.1; for f in bokeh_*.py; do python -m bokeh html $f; done)
  - ./scripts/prepare_deploy.sh
  - PATH=/opt/miniconda3/bin:$PATH conda config --add channels bjodah # sym, pyodesys, pyneqsys

README.rst

@@ -205,6 +205,22 @@ Chemical kinetics (system of ordinary differential equations)
 
 .. image:: https://raw.githubusercontent.com/bjodah/chempy/master/examples/kinetics.png
 
+Properties
+~~~~~~~~~~
+.. code:: python
+
+ >>> from chempy import Substance
+ >>> from chempy.properties.water_density_tanaka_2001 import water_density as rho
+ >>> from chempy.units import to_unitless, default_units as u
+ >>> water = Substance.from_formula('H2O')
+ >>> for T_C in (15, 25, 35):
+ ... concentration_H2O = rho(T=(273.15 + T_C)*u.kelvin, units=u)/water.molar_mass(units=u)
+ ... print('[H2O] = %.2f M (at %d °C)' % (to_unitless(concentration_H2O, u.molar), T_C))
+ ...
+ [H2O] = 55.46 M (at 15 °C)
+ [H2O] = 55.35 M (at 25 °C)
+ [H2O] = 55.18 M (at 35 °C)
+
 
 License
 -------

chempy/__init__.py

@@ -7,7 +7,8 @@
 
 from ._url import __url__
 from ._release import __version__
-from .chemistry import Substance, Reaction, Equilibrium, ReactionSystem, Species, balance_stoichiometry, mass_fractions
+from .chemistry import Substance, Reaction, Equilibrium, Species, balance_stoichiometry, mass_fractions
+from .reactionsystem import ReactionSystem
 from .henry import Henry
 from .util.periodic import atomic_number