Temporary work-around to read broken cantherm input files (see issue #112)
A standalone script convertThermo.py for making Thermo Library files.

This is to read in somebody's chemkin file, and turn it into a thermo library.
Eventually this should help you identify what the species are, but it doesn't
do that quite yet.
Help constructing SMILES strings when converting thermo files.

Correct docstring in convertThermo.py file
Read reactions block in thermoconverter.
Thermo converter now loads RMG database, ready for species guessing.

Added some argument parsing, etc.
Convert thermo creates RMG core/edge reaction model and imports species.

In order to let RMG calculate reactions etc. for the imported species,
we need to make them into the right kind of species, estimate massage
their thermo, etc.
It is now at a point where you can expand the reaction model (I think)
Trying to make the importer tool more object oriented.

Making a class, etc.
and make it cope with conserved case in chemkin reader.
Got chemkin importer working! (I think)
Check the whole edge when running out of things to match
Don't check chemkin reactions that are fully identified
Partial prune of reactions not likely to be useful.

Reactions that include species whose chemical formula doesn't match
anything in the chemkin file are deleted from the edge
Log the current voting
Reorganize importer.

Also give it a clue for 'mb'= Methyl butanoate, to test how much this helps.
Gets from 59 to 89!
Redo vote reporting.
Draw pictures of species.

If you're using QTconsole, it displays them inline in various points.
It also saves them in the species directory.
Add a few more known species for the Huyn methylbutanoate test case.
Report enthalpy difference on match and in voting.

Helps you spot mistakes, and helps choose between alternatives.
When run out of options, ask for more help!
Added the test case for the chemkin converter.

This is a model for methyl butanoate, taken directly
from supplementary material.
Save enthalpy discrepancy in matching list file.