New thal.c code lives in thalflex.c and thalflex.h and thalflexsignatures.h.
Commented out code in thalflex.c used MacOS <malloc/malloc.h>malloc_size() function to investigate allocations of triloopEnthalpies/triloopEntropies and tetraloopEnthalpies/tetraloopEntropies
test_threadsafe.py add and nogil instituted for calls to thal() and seqtm() added run_design and calc_heterodimer threadsafe tests
Presently thermoanalysis.pyx/pxd have been update to use thalflex.c and nogil cython instruction resulting in a 20X speed improvement on MacOS development machine (2X from thalflex.c and 10X from nogil)
ThermoAnalysis class no longer needs to be a Singleton so this was removed as a parent class
New
thal.ccode lives inthalflex.candthalflex.handthalflexsignatures.h.Commented out code in
thalflex.cused MacOS<malloc/malloc.h>malloc_size()function to investigate allocations oftriloopEnthalpies/triloopEntropiesandtetraloopEnthalpies/tetraloopEntropiestest_threadsafe.pyadd andnogilinstituted for calls tothal()andseqtm()addedrun_designandcalc_heterodimerthreadsafe testsPresently
thermoanalysis.pyx/pxdhave been update to usethalflex.candnogilcython instruction resulting in a 20X speed improvement on MacOS development machine (2X fromthalflex.cand 10X fromnogil)ThermoAnalysisclass no longer needs to be aSingletonso this was removed as a parent classversion bump to 1.2.0a1
CHANGESupdate for 1.2.0 updates