Hi,
This is a quick status update for the progress of the data model
redesign. Most of preparatory points have now been implemented. All
that is left is the implementation of a few of the user functions of
the 'molecule', 'residue', and 'spin' user function classes (as well
as some functions in the 'sequence', and possibly the 'complex' and
'spins', user function classes). I have written the spin_loop()
generator function as well as the molecule_loop() and residue_loop()
generator functions which are in the same style as the spin_loop().
The two additional functions will be useful later on. For example the
residue.delete() user function now calls the molecule_loop() generator
function as returning residue or spin containers does not allow for
the residue to be deleted.
I have also implemented the spin system identification syntax parsing
functions tokenise() and parse_token(). To make sure these work
correctly I has added numerous unit tests to check that all different
combinations of identification strings and token strings are handled
correctly. If you see deficiencies in these functions, please say.
Cheers,
Edward
Preparation for the data model redesign.