0README

Wed Jul 27 21:41:36 MST 2005


/Simplex-1994
|-- 0README
|
`-- Lib			executables, sources, tests, man page, for simplex
    |					fitting programs;
    |					also code for an S function
    |-- 0NOTE
    |-- 0README
    |-- 1-NOTE
    |-- 1-README
    |
    |-- Makefile
    |-- ldhfit			executable, fit of ldh enzyme rate data 
    |-- ldhfit.c		C source for custom function
    |
    |-- powellfit		executable, minimization of quartic function
    |-- powell.c		C source for custom function
    |
    |-- simpfront.c		interface fitting function to simplex library
    |
    |-- simpdefs.h		simplex library
    |-- simpdev.c		quadratic fit
    |-- simpfit.c		nelder-mead simplex fit
    |-- simplib0.c
    |-- simpmain.c		control fit - call simpdev and simpfit
    |
    |-- ldhfit.dat		input for ldhfit - data, cntrl val, param val
    |-- powell.dat		input for powellfit - cntrl val, param val
    |-- simpfit.dat.template
    |
    |-- simplex.1		man page - groff man macros -> various formats
    |-- simplex.1.ps
    |-- simplex.1.txt
    |-- simplex.1.txt-nobs	nobs = no backspaces
    |
    |-- S			directory - S scripts for S simplex function
    |   |-- Puro.S
    |   |-- ldhfn.S
    |   |-- powell.S
    |   |-- simpS.c
    |   |-- simpStest.c
    |   |-- simpStest.h
    |   |-- simpfit.S
    |   |-- simpfit.all.s
    |   `-- simpfit.d
    |
    |-- tests			directory - test ldhfit and powellfit;
    |					    compare output under macosx with
    |					    old (1994) output, under 4d30
    |   |-- ldhfit.out-1994-4d30
    |   |-- ldhfit.test-macosx
    |   |-- powell.out-1994-4d30
    |   `-- powell.test-macosx
    |
    `-- tests-14		directory - tests comparing ldhfit from 1994
        |				    sourcew with ldhfit, 1991 sources;
	|				    all compiles and runs under macosx;
	|				    1991 data was modified for compat.
	|				    with 1994 ldhbit (add bounds);
	|				 symbols: 
	|				    11 = 1991 ldhfit runs 1991 data mod
	|				    14 = 1991 ldhfit runs 1994 data mod
	|				    41 = 1994 ldhfit runs 1991 data mod
	|				    44 = 1994 ldhfit runs 1994 data mod
	|				 results and analysis:
	|				    in 0NOTE
        |-- 0NOTE
        |-- diff-14-11			diff file btwn results encdoded
        |-- diff-14-44				similar
        |-- ldhfit.dat1991-mod		1991 data, modified addn bounds
        |-- ldhfit.dat1994		1994 data
        |-- ldhfit1991.test1991-macosx	   11 - results from run as encoded 
        |-- ldhfit1991.test1994-macosx	   14
        |-- ldhfit1994.test1991-macosx     41
        `-- ldhfit1994.test1994-macosx     44
	

There are sources for simplex fitting under the directory Simplex-1994
and Simplex-1991.  The Simplex-1991 sources and functions are more
to be recommended to a prospective user: the screen and disk outputs
are controllable from the command line and are optionally much more
verbose.  The 1991 and 1994 programs give identical results with
the same set of data, except for differently-structured output.
See "Simplex-1994/Lib/tests-14/0NOTE".  The 1994 sources, derived
from the 1991, were designed to generate a C-coded function for S,
that could be loaded and called from within S and S functions.  Thus
the stanalone fitting programs under Simple-1994 are afterthoughts.

For those interested in the implementation of the Nelder-Mead
algorithm and the matrix operations of the quadratic fit, the 1994
sources are more heavily commented than the 1991.




John Rupley
 rupley@u.arizona.edu -or- jar@rupley.com
 30 Calle Belleza, Tucson AZ 85716 - (520) 325-4533; fax - (520) 325-4991
 Dept. Biochemistry & Molecular Biophysics, Univ. Arizona, Tucson AZ 85721
