Bjorn

Surprising result from formula()

5

I would expect this to output 4, not 3: ``` >>> periodictable.formula('NH3 + H{+}').atoms[periodictable.H] 3 ``` Py 2.7, periodictable 1.4.1

New release?

1

@bertiewooster you mentioned that you'd like to see a new release? I'm happy to mint one, but if @jeremyagray is interested in getting push rights to the PyPI package as...

repr should ideally match eval...

Pretty printing with big uncertainties

15

``` >>> from chempy.printing import number_to_scientific_unicode >>> number_to_scientific_unicode(0.05, 5.5) ... ValueError: unsupported format character '-' (0x2d) at index 2 ```

work in progress see also https://github.com/bjodah/pyodesys/pull/75

The current implementation is too complicated. Better: provide mechanism in pyodesys for early preprocessing whith dedimensionalisation, then in `extra` from `get_odesys` provide a "dedimensionalisation" callback. This is ongoing in the...

Parsing of strings silently accept some insane strings. Instead, it should raise an error. Examples: ```python >>> from chempy import ReactionSystem as RS >>> RS.from_string("CO -> O + C ->").string()...

IUPAC defines: c⦵ = 1 mol/dm³ which by convention makes equiblirium constants unitless (ignorant chemists...) `Equilibrium` needs to handle both unitless K (post-user-dedimensionalization) and K with units, e.g. by passing...

The code is quite complicated and most (perhaps all?) functionality would be possible to get through using e.g. SymPy directly. Related: #47