P(Q)S(Q) & Integration Complexities

[smk78]

This is harder, but hoping to help us see where we have been and where we are going, at least as far as things that interest myself! - and to then write some tickets,

So is much a work in progress …

Richard

Beta(Q)

The beta(Q) work for S(Q) is I think all working (for simple cases) and is even documented SasView/sasmodels#203

But we are woefully short on unit tests, though prototypes exist for key models such as ellipsoid. http://trac.sasview.org/ticket/822#comment:2

Validation of beta(Q) etc. against other codes is tricky, and has some unresolved issues SasView/sasmodels#181

Numerical Integrations

Paul K has notes here on how numerical integrations can be improved SasView/sasmodels#244
Also comments on adaptive integration here SasView/sasmodels#535 and Q resolution smearing #839

parallelize polydispersity loops (especially important for McSAS) https://github.com/SasView/sasview/issues/1259 , see also SasView/sasmodels#187

Parameter passing

Models need to be able to feed back some derived values at least at mean or starting values of parameters (e.g. shell thickness where this is computed, or say Vshell/Vcore as information to user) SasView/sasmodels#182

Sum & Multi complex models & plugin models

Some historical context here, about backwards compatibility for sum/multi from older project files SasView/sasmodels#179

“Mixture model needs to be rewritten” says Paul K #1305 , also related comment #1333

P(Q)S(Q) plugin not working ??? - needs test - created #1478 for this., see also
#1301
#1451 which was merged to master of sasmodels - see SasView/sasmodels#216

plugin sun of three models not working in v4 or v5,see
v4 #1359
v5 #1360

this may be partly fixed, as there is a closed pulll request with unmerged commits ?
SasView/sasmodels#364
and a closed branch of sasmodels https://github.com/SasView/sasmodels/tree/ticket_1360_add_models

Plugin model summed with another plugin not working #1451

Yet more on constraints

Additional fixed parameters (though a plugin model plus constraints could do this easily) #978

Ought to close this one ? #621

Scale factors

As with the recent email discussion with Ad van Well, there are lengthy discussions here SasView/sasmodels#232 about the meaning of the “scale” parameter and what we might do about improving things whilst also maintaining backwards compatibility, else we make a great leap forward in v6 !
See also #609