Intermediate code for xvg handling
The transition from old analysis tools to new ones seems to be a big hurdle as no existing tools have been ported. Could the transition be eased by C++ifying parts of the code? An attempt was made to do this for the xvg handling code, however, in order to make it useful all the tools using it would have to be rewritten to some extent. Would it be better to cease any development (except bugfixes) to existing tools and require development of a new tool for every proposed change?
#3 Updated by Mark Abraham about 2 years ago
In practice, I need to treat any proposed change to old-school tools functionality as low priority. I have too many open projects and too many calls on my time.
However, work that adds tests and ports an old tool to the new framework is of much higher interest, and that's the only pathway I can recommend for people wanting to contribute a new tool / feature.One possible path to progress is to work out how to use the analysis framework's machinery for building the data sets assembled in an old-school tool (I don't know how feasible this is). That would provide for a dev workflow that produces commit series that look something like
- add test coverage (probably fixing a host of minor leaky things)
- break old tools into distinct parts (now that the wrapper binary implementation means that there is much lower pressure against proliferation of module names)
- build data sets with new machinery (above tests show that this is working fine)
- port the logic of the old-school test runner into the analysis framework approach
I have some work somewhere splitting gmx density into two parts and upgrading one of them, but it hasn't got to the point where I was ready to propose it to the world.