Unordered Printing

[ptth222]

When printing the mwTab file from the internal dictionary the package simply prints in the order of dictionary insertion rather than the order specified by the mwTab format. The function is on line 239 of mwtab.py.

Either this function should change to always print in the correct order, or the validation should change to check for correct order of the dictionary, possibly both. Currently, the package will validate an incorrect order and you can print out an invalid file. Always printing in the correct order is made a little complicated by the fact that there are 3 possible configurations (MS, NMR, NMR binned).

Note that not just the order of the blocks is important, but also the order of the sections inside the blocks. For example, units should be before the data in the MS block.