Performs an exponential fit of the form y(n) = a0 + a1 * exp(a2 * x(n)) More...

#include "mdb.h"
#include "SDDS.h"
#include "scan.h"

Macros
#define	START_CONSTANT_GIVEN 0x0001

#define	FIX_CONSTANT_GIVEN (0x0001 << 3)

#define	START_FACTOR_GIVEN 0x0002

#define	FIX_FACTOR_GIVEN (0x0002 << 3)

#define	START_RATE_GIVEN 0x0004

#define	FIX_RATE_GIVEN (0x0004 << 3)

#define	CLUE_GROWS 0

#define	CLUE_DECAYS 1

#define	N_CLUE_TYPES 2

Enumerations
enum	option_type { SET_TOLERANCE , SET_VERBOSITY , SET_CLUE , SET_GUESS , SET_COLUMNS , SET_FULLOUTPUT , SET_PIPE , SET_LIMITS , SET_STARTVALUES , SET_FIXVALUE , SET_AUTOOFFSET , SET_MAJOR_ORDER , N_OPTIONS }

Functions
double	fitFunction (double a, long invalid)

void	report (double res, double *a, long pass, long n_eval, long n_dimen)

void	setupOutputFile (SDDS_DATASET OutputTable, long xIndex, long yIndex, long fitIndex, long residualIndex, char output, long fullOutput, SDDS_DATASET InputTable, char xName, char *yName, short columnMajorOrder)

char *	makeInverseUnits (char *units)

int	main (int argc, char **argv)

Variables
char *	option [N_OPTIONS]

static char *	USAGE

static double *	xData

static double *	yData

static double *	syData

static int64_t	nData

static double	yMin

static double	yMax

static double	xMin

static double	xMax

static double	fit [3]

char *	clue_name [N_CLUE_TYPES]

long	verbosity

Detailed Description

Performs an exponential fit of the form y(n) = a0 + a1 * exp(a2 * x(n))

Overview

sddsexpfit is a command-line utility designed to perform exponential fitting on input data. It reads data from an input file, applies an exponential model to fit the data, and outputs the results to an output file. The program offers a variety of command line options to configure fit parameters, control output verbosity, and manage data processing.

Features

Configurable fit parameters with initial guesses and fixed values.
Adjustable convergence tolerance for the fitting algorithm.
Verbose output for detailed logging.
Support for specifying data columns and handling uncertainties.
Options to control the data processing order and output format.

Command Line Options

General Usage

sddsexpfit [<inputfile>] [<outputfile>] [options]

Options

-pipe=[input][,output] -fulloutput -columns=<x-name>,<y-name>[,ySigma=<name>] -tolerance=

-verbosity=<integer> -clue={grows|decays} -guess=<constant>,<factor>,<rate> -startValues=[constant=

][,factor=

][,rate=

] -fixValue=[constant=

][,factor=

][,rate=

] -autoOffset -limits=[evaluations=<number>][,passes=<number>] -majorOrder=row|column

Copyright

(c) 2002 The University of Chicago, as Operator of Argonne National Laboratory.
(c) 2002 The Regents of the University of California, as Operator of Los Alamos National Laboratory.

License: This file is distributed under the terms of the Software License Agreement found in the file LICENSE included with this distribution.

Author: M. Borland, C. Saunders, L. Emery, R. Soliday, H. Shang, N. Kuklev

Definition in file sddsexpfit.c.

Macro Definition Documentation

◆ CLUE_DECAYS

#define CLUE_DECAYS 1

Definition at line 123 of file sddsexpfit.c.

◆ CLUE_GROWS

#define CLUE_GROWS 0

Definition at line 122 of file sddsexpfit.c.

◆ FIX_CONSTANT_GIVEN

#define FIX_CONSTANT_GIVEN (0x0001 << 3)

Definition at line 116 of file sddsexpfit.c.

◆ FIX_FACTOR_GIVEN

#define FIX_FACTOR_GIVEN (0x0002 << 3)

Definition at line 118 of file sddsexpfit.c.

◆ FIX_RATE_GIVEN

#define FIX_RATE_GIVEN (0x0004 << 3)

Definition at line 120 of file sddsexpfit.c.

◆ N_CLUE_TYPES

#define N_CLUE_TYPES 2

Definition at line 124 of file sddsexpfit.c.

◆ START_CONSTANT_GIVEN

#define START_CONSTANT_GIVEN 0x0001

Definition at line 115 of file sddsexpfit.c.

◆ START_FACTOR_GIVEN

#define START_FACTOR_GIVEN 0x0002

Definition at line 117 of file sddsexpfit.c.

◆ START_RATE_GIVEN

#define START_RATE_GIVEN 0x0004

Definition at line 119 of file sddsexpfit.c.

Enumeration Type Documentation

◆ option_type

enum option_type

Definition at line 57 of file sddsexpfit.c.

                 {
  SET_TOLERANCE,
  SET_VERBOSITY,
  SET_CLUE,
  SET_GUESS,
  SET_COLUMNS,
  SET_FULLOUTPUT,
  SET_PIPE,
  SET_LIMITS,
  SET_STARTVALUES,
  SET_FIXVALUE,
  SET_AUTOOFFSET,
  SET_MAJOR_ORDER,
  N_OPTIONS
};

Function Documentation

◆ fitFunction()

double fitFunction	(	double *	a,
		long *	invalid )

Definition at line 498 of file sddsexpfit.c.

                                             {
  int64_t i;
  double chi = 0.0, diff;
  static double min_chi;
 
  min_chi = DBL_MAX;
 
  *invalid = 0;
  for (i = 0; i < nData; i++) {
    diff = yData[i] - (a[0] + a[1] * exp(a[2] * xData[i]));
    if (syData)
      diff /= syData[i];
    chi += sqr(diff);
  }
  if (isnan(chi) || isinf(chi))
    *invalid = 1;
  if (verbosity > 3)
    fprintf(stderr, "trial: a = %e, %e, %e  --> chi = %e, invalid = %ld\n", a[0], a[1], a[2], chi, *invalid);
  if (min_chi > chi) {
    min_chi = chi;
    fit[0] = a[0];
    fit[1] = a[1];
    fit[2] = a[2];
    if (verbosity > 2)
      fprintf(stderr, "new best chi = %e:  a = %e, %e, %e\n", chi, fit[0], fit[1], fit[2]);
  }
  return chi;
}

◆ main()

int main	(	int	argc,
		char **	argv )

Definition at line 132 of file sddsexpfit.c.

                                {
  double tolerance, result, chiSqr, sigLevel;
  int32_t nEvalMax = 5000, nPassMax = 100;
  double guess[3];
  double a[3], da[3];
  double alo[3], ahi[3];
  long n_dimen = 3, guessGiven, startGiven;
  SDDS_DATASET InputTable, OutputTable;
  SCANNED_ARG *s_arg;
  long i_arg, clue, fullOutput;
  int64_t i;
  char *input, *output, *xName, *yName, *syName;
  long xIndex, yIndex, fitIndex, residualIndex, retval;
  double *fitData, *residualData, rmsResidual;
  unsigned long guessFlags, pipeFlags, dummyFlags, majorOrderFlag;
  double constantStart, factorStart, rateStart;
  short disable[3] = {0, 0, 0};
  short autoOffset = 0;
  short columnMajorOrder = -1;
 
  SDDS_RegisterProgramName(argv[0]);
  argc = scanargs(&s_arg, argc, argv);
  if (argc < 2 || argc > (2 + N_OPTIONS))
    bomb(NULL, USAGE);
 
  input = output = NULL;
  tolerance = 1e-6;
  verbosity = fullOutput = guessGiven = startGiven = 0;
  clue = -1;
  xName = yName = syName = NULL;
  pipeFlags = guessFlags = 0;
  constantStart = factorStart = rateStart = 0;
 
  for (i_arg = 1; i_arg < argc; i_arg++) {
    if (s_arg[i_arg].arg_type == OPTION) {
      switch (match_string(s_arg[i_arg].list[0], option, N_OPTIONS, 0)) {
      case SET_MAJOR_ORDER:
        majorOrderFlag = 0;
        s_arg[i_arg].n_items--;
        if (s_arg[i_arg].n_items > 0 && (!scanItemList(&majorOrderFlag, s_arg[i_arg].list + 1, &s_arg[i_arg].n_items, 0, "row", -1, NULL, 0, SDDS_ROW_MAJOR_ORDER, "column", -1, NULL, 0, SDDS_COLUMN_MAJOR_ORDER, NULL)))
          SDDS_Bomb("invalid -majorOrder syntax/values");
        if (majorOrderFlag & SDDS_COLUMN_MAJOR_ORDER)
          columnMajorOrder = 1;
        else if (majorOrderFlag & SDDS_ROW_MAJOR_ORDER)
          columnMajorOrder = 0;
        break;
      case SET_AUTOOFFSET:
        autoOffset = 1;
        break;
      case SET_TOLERANCE:
        if (s_arg[i_arg].n_items != 2 || sscanf(s_arg[i_arg].list[1], "%lf", &tolerance) != 1)
          SDDS_Bomb("incorrect -tolerance syntax");
        break;
      case SET_VERBOSITY:
        if (s_arg[i_arg].n_items != 2 || sscanf(s_arg[i_arg].list[1], "%ld", &verbosity) != 1)
          SDDS_Bomb("incorrect -verbosity syntax");
        break;
      case SET_CLUE:
        if (s_arg[i_arg].n_items != 2 || (clue = match_string(s_arg[i_arg].list[1], clue_name, N_CLUE_TYPES, 0)) < 0)
          SDDS_Bomb("incorrect -clue syntax");
        break;
      case SET_GUESS:
        if (startGiven)
          SDDS_Bomb("can't have -startValues and -guess at once");
        if (s_arg[i_arg].n_items != 4 || sscanf(s_arg[i_arg].list[1], "%lf", guess + 0) != 1 || sscanf(s_arg[i_arg].list[2], "%lf", guess + 1) != 1 || sscanf(s_arg[i_arg].list[3], "%lf", guess + 2) != 1)
          SDDS_Bomb("invalid -guess syntax");
        guessGiven = 1;
        break;
      case SET_STARTVALUES:
        if (s_arg[i_arg].n_items < 2)
          SDDS_Bomb("incorrect -startValues syntax");
        if (guessGiven)
          SDDS_Bomb("can't have -startValues and -guess at once");
        s_arg[i_arg].n_items -= 1;
        dummyFlags = guessFlags;
        if (!scanItemList(&guessFlags, s_arg[i_arg].list + 1, &s_arg[i_arg].n_items, 0, "constant", SDDS_DOUBLE, &constantStart, 1, START_CONSTANT_GIVEN, "factor", SDDS_DOUBLE, &factorStart, 1, START_FACTOR_GIVEN, "rate", SDDS_DOUBLE, &rateStart, 1, START_RATE_GIVEN, NULL))
          SDDS_Bomb("invalid -fixValue syntax");
        if ((dummyFlags >> 3) & (guessFlags))
          SDDS_Bomb("can't have -fixValue and -startValue for the same item");
        guessFlags |= dummyFlags;
        startGiven = 1;
        break;
      case SET_FIXVALUE:
        if (s_arg[i_arg].n_items < 2)
          SDDS_Bomb("incorrect -fixValue syntax");
        s_arg[i_arg].n_items -= 1;
        dummyFlags = guessFlags;
        if (!scanItemList(&guessFlags, s_arg[i_arg].list + 1, &s_arg[i_arg].n_items, 0, "constant", SDDS_DOUBLE, &constantStart, 1, FIX_CONSTANT_GIVEN, "factor", SDDS_DOUBLE, &factorStart, 1, FIX_FACTOR_GIVEN, "rate", SDDS_DOUBLE, &rateStart, 1, FIX_RATE_GIVEN, NULL))
          SDDS_Bomb("invalid -fixValue syntax");
        if ((dummyFlags) & (guessFlags >> 3))
          SDDS_Bomb("can't have -fixValue and -startValue for the same item");
        guessFlags |= dummyFlags;
        break;
      case SET_COLUMNS:
        if (s_arg[i_arg].n_items != 3 && s_arg[i_arg].n_items != 4)
          SDDS_Bomb("invalid -columns syntax");
        xName = s_arg[i_arg].list[1];
        yName = s_arg[i_arg].list[2];
        s_arg[i_arg].n_items -= 3;
        if (!scanItemList(&dummyFlags, s_arg[i_arg].list + 3, &s_arg[i_arg].n_items, 0, "ysigma", SDDS_STRING, &syName, 1, 0, NULL))
          SDDS_Bomb("invalid -columns syntax");
        break;
      case SET_FULLOUTPUT:
        fullOutput = 1;
        break;
      case SET_PIPE:
        if (!processPipeOption(s_arg[i_arg].list + 1, s_arg[i_arg].n_items - 1, &pipeFlags))
          SDDS_Bomb("invalid -pipe syntax");
        break;
      case SET_LIMITS:
        if (s_arg[i_arg].n_items < 2)
          SDDS_Bomb("incorrect -limits syntax");
        s_arg[i_arg].n_items -= 1;
        if (!scanItemList(&dummyFlags, s_arg[i_arg].list + 1, &s_arg[i_arg].n_items, 0, "evaluations", SDDS_LONG, &nEvalMax, 1, 0, "passes", SDDS_LONG, &nPassMax, 1, 0, NULL) || nEvalMax <= 0 || nPassMax <= 0)
          SDDS_Bomb("invalid -limits syntax");
        break;
      default:
        fprintf(stderr, "error: unknown/ambiguous option: %s\n", s_arg[i_arg].list[0]);
        exit(EXIT_FAILURE);
        break;
      }
    } else {
      if (input == NULL)
        input = s_arg[i_arg].list[0];
      else if (output == NULL)
        output = s_arg[i_arg].list[0];
      else
        SDDS_Bomb("too many filenames");
    }
  }
 
  processFilenames("sddsexpfit", &input, &output, pipeFlags, 0, NULL);
 
  for (i = 0; i < 3; i++) {
    if ((guessFlags >> 3) & (1 << i)) {
      disable[i] = 1;
    }
  }
 
  if (!xName || !yName)
    SDDS_Bomb("-columns option must be given");
 
  if (!SDDS_InitializeInput(&InputTable, input) || SDDS_GetColumnIndex(&InputTable, xName) < 0 ||
      SDDS_GetColumnIndex(&InputTable, yName) < 0 || (syName && SDDS_GetColumnIndex(&InputTable, syName) < 0))
    SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors | SDDS_EXIT_PrintErrors);
 
  setupOutputFile(&OutputTable, &xIndex, &yIndex, &fitIndex, &residualIndex, output, fullOutput, &InputTable, xName, yName, columnMajorOrder);
 
  while ((retval = SDDS_ReadPage(&InputTable)) > 0) {
    fitData = residualData = NULL;
    xData = yData = syData = NULL;
    if (!(xData = SDDS_GetColumnInDoubles(&InputTable, xName)) ||
        !(yData = SDDS_GetColumnInDoubles(&InputTable, yName)) ||
        (syName && !(syData = SDDS_GetColumnInDoubles(&InputTable, syName))))
      SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors | SDDS_EXIT_PrintErrors);
    if ((nData = SDDS_CountRowsOfInterest(&InputTable)) < 4)
      continue;
 
    if (xData[0] > xData[nData - 1])
      fputs("warning: data reverse-ordered", stderr);
 
    find_min_max(&yMin, &yMax, yData, nData);
    find_min_max(&xMin, &xMax, xData, nData);
    for (i = 0; i < nData; i++)
      xData[i] -= xMin;
 
    fill_double_array(alo, 3, -DBL_MAX / 2);
    fill_double_array(ahi, 3, DBL_MAX / 2);
 
    if (!guessGiven) {
      if (clue == CLUE_GROWS) {
        a[0] = 0.9 * yData[0];
        a[1] = yData[nData - 1] - yData[0];
        a[2] = 1 / (xData[nData - 1] - xData[0]);
        alo[2] = 0;
        if (a[1] > 0)
          alo[1] = 0;
        else
          ahi[1] = 0;
      } else if (clue == CLUE_DECAYS) {
        a[0] = 0.9 * yData[nData - 1];
        a[1] = yData[0] - yData[nData - 1];
        a[2] = 0;
        ahi[2] = 0;
        if (a[1] > 0)
          alo[1] = 0;
        else
          ahi[1] = 0;
      } else {
        a[0] = yMin * 0.9;
        a[1] = yMax - yMin;
        a[2] = 0;
      }
    } else {
      a[0] = guess[0];
      a[1] = guess[1];
      a[2] = guess[2];
    }
 
    if (guessFlags & (START_CONSTANT_GIVEN + FIX_CONSTANT_GIVEN))
      a[0] = constantStart;
    if (guessFlags & (START_FACTOR_GIVEN + FIX_FACTOR_GIVEN))
      a[1] = factorStart;
    if (guessFlags & (START_RATE_GIVEN + FIX_RATE_GIVEN))
      a[2] = rateStart;
 
    da[0] = da[1] = fabs(a[1] - a[0]) / 20.0;
    da[2] = 0.1 / (xData[nData - 1] - xData[0]);
    if (verbosity > 3)
      fprintf(stderr, "starting guess: %e, %e, %e\n", a[0], a[1], a[2]);
 
    simplexMin(&result, a, da, alo, ahi, disable, n_dimen, -DBL_MAX, tolerance, fitFunction, (verbosity > 0 ? report : NULL), nEvalMax, nPassMax, 12, 3, 1.0, 0);
 
    da[0] = a[0] / 10;
    da[1] = a[1] / 10;
    da[2] = a[2] / 10;
    simplexMin(&result, a, da, alo, ahi, disable, n_dimen, -DBL_MAX, tolerance, fitFunction, (verbosity > 0 ? report : NULL), nEvalMax, nPassMax, 12, 3, 1.0, 0);
 
    if (!autoOffset) {
      /* user wants the coefficients with the offset removed */
      a[1] *= exp(-a[2] * xMin);
      for (i = 0; i < nData; i++)
        xData[i] += xMin;
    }
 
    fitData = trealloc(fitData, sizeof(*fitData) * nData);
    residualData = trealloc(residualData, sizeof(*residualData) * nData);
    for (i = result = 0; i < nData; i++) {
      fitData[i] = a[0] + a[1] * exp(a[2] * xData[i]);
      residualData[i] = yData[i] - fitData[i];
      result += sqr(residualData[i]);
    }
    rmsResidual = sqrt(result / nData);
    if (syData) {
      for (i = chiSqr = 0; i < nData; i++)
        chiSqr += sqr(residualData[i] / syData[i]);
    } else {
      double sy2;
      sy2 = result / (nData - 3);
      for (i = chiSqr = 0; i < nData; i++)
        chiSqr += sqr(residualData[i]) / sy2;
    }
    sigLevel = ChiSqrSigLevel(chiSqr, nData - 3);
    if (verbosity > 1) {
      fprintf(stderr, "RMS deviation: %.15e\n", rmsResidual);
      fprintf(stderr, "(RMS deviation)/(largest value): %.15e\n", rmsResidual / MAX(fabs(yMin), fabs(yMax)));
      if (syData)
        fprintf(stderr, "Significance level: %.5e\n", sigLevel);
    }
    if (verbosity > 0) {
      fprintf(stderr, "coefficients of fit to the form y = a0 + a1*exp(a2*x), a = \n");
      for (i = 0; i < 3; i++)
        fprintf(stderr, "%.8e ", a[i]);
      fprintf(stderr, "\n");
    }
 
    if (!SDDS_StartPage(&OutputTable, nData) ||
        !SDDS_CopyParameters(&OutputTable, &InputTable) ||
        !SDDS_SetColumn(&OutputTable, SDDS_SET_BY_INDEX, xData, nData, xIndex) ||
        !SDDS_SetColumn(&OutputTable, SDDS_SET_BY_INDEX, fitData, nData, fitIndex) ||
        !SDDS_SetParameters(&OutputTable, SDDS_PASS_BY_VALUE | SDDS_SET_BY_NAME,
                            "expfitConstant", a[0],
                            "expfitFactor", a[1],
                            "expfitRate", a[2],
                            "expfitRmsResidual", rmsResidual,
                            "expfitSigLevel", sigLevel, NULL) ||
        (fullOutput && (!SDDS_SetColumn(&OutputTable, SDDS_SET_BY_INDEX, yData, nData, yIndex) ||
                        !SDDS_SetColumn(&OutputTable, SDDS_SET_BY_INDEX, residualData, nData, residualIndex))) ||
        !SDDS_WritePage(&OutputTable))
      SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors | SDDS_EXIT_PrintErrors);
    if (xData)
      free(xData);
    if (yData)
      free(yData);
    if (syData)
      free(syData);
    if (fitData)
      free(fitData);
    if (residualData)
      free(residualData);
  }
  if (!SDDS_Terminate(&InputTable) || !SDDS_Terminate(&OutputTable)) {
    SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
    exit(EXIT_FAILURE);
  }
  return EXIT_SUCCESS;
}

◆ makeInverseUnits()

char * makeInverseUnits ( char * units )

Definition at line 476 of file sddsexpfit.c.

                                    {
  char *inverseUnits;
 
  if (!units || SDDS_StringIsBlank(units))
    return NULL;
  inverseUnits = tmalloc(sizeof(*inverseUnits) * (strlen(units) + 5));
 
  if (strncmp(units, "1/(", 3) == 0 && units[strlen(units) - 1] == ')') {
    /* special case of "1/(<unit>)" */
    strcpy(inverseUnits, units + 3);
    inverseUnits[strlen(inverseUnits) - 1] = '\0';
  } else if (!strchr(units, ' ')) {
    /* special case of units string without spaces */
    sprintf(inverseUnits, "1/%s", units);
  } else {
    /* general case */
    sprintf(inverseUnits, "1/(%s)", units);
  }
 
  return inverseUnits;
}

◆ report()

void report	(	double	res,
		double *	a,
		long	pass,
		long	n_eval,
		long	n_dimen )

Definition at line 527 of file sddsexpfit.c.

                                                                      {
  long i;
 
  fprintf(stderr, "Pass %ld, after %ld evaluations: result = %.16e\na = ", pass, nEval, y);
  for (i = 0; i < n_dimen; i++)
    fprintf(stderr, "%.8e ", x[i]);
  fputc('\n', stderr);
}

◆ setupOutputFile()

void setupOutputFile	(	SDDS_DATASET *	OutputTable,
		long *	xIndex,
		long *	yIndex,
		long *	fitIndex,
		long *	residualIndex,
		char *	output,
		long	fullOutput,
		SDDS_DATASET *	InputTable,
		char *	xName,
		char *	yName,
		short	columnMajorOrder )

Definition at line 420 of file sddsexpfit.c.

                                                                                                                                                                                                                            {
  char *name, *yUnits, *description, *xUnits, *inverse_xUnits;
  int32_t typeValue = SDDS_DOUBLE;
  static char *residualNamePart = "Residual";
  static char *residualDescriptionPart = "Residual of exponential fit to ";
 
  if (!SDDS_InitializeOutput(OutputTable, SDDS_BINARY, 0, NULL, "sddsexpfit output", output) ||
      !SDDS_TransferColumnDefinition(OutputTable, InputTable, xName, NULL) ||
      !SDDS_ChangeColumnInformation(OutputTable, "type", &typeValue, SDDS_BY_NAME, xName) ||
      (*xIndex = SDDS_GetColumnIndex(OutputTable, xName)) < 0 ||
      !SDDS_GetColumnInformation(InputTable, "units", &xUnits, SDDS_BY_NAME, xName) ||
      !SDDS_GetColumnInformation(InputTable, "units", &yUnits, SDDS_BY_NAME, yName)) {
    SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
    exit(EXIT_FAILURE);
  }
 
  if (columnMajorOrder != -1)
    OutputTable->layout.data_mode.column_major = columnMajorOrder;
  else
    OutputTable->layout.data_mode.column_major = InputTable->layout.data_mode.column_major;
 
  name = tmalloc(sizeof(*name) * (strlen(yName) + strlen(residualNamePart) + 1));
  description = tmalloc(sizeof(*name) * (strlen(yName) + strlen(residualDescriptionPart) + 1));
 
  if (fullOutput) {
    if (!SDDS_TransferColumnDefinition(OutputTable, InputTable, yName, NULL) ||
        !SDDS_ChangeColumnInformation(OutputTable, "type", &typeValue, SDDS_BY_NAME, yName) ||
        (*yIndex = SDDS_GetColumnIndex(OutputTable, yName)) < 0)
      SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors | SDDS_EXIT_PrintErrors);
    sprintf(name, "%s%s", yName, residualNamePart);
    sprintf(description, "%s%s", yName, residualDescriptionPart);
    if ((*residualIndex = SDDS_DefineColumn(OutputTable, name, NULL, yUnits, description, NULL, SDDS_DOUBLE, 0)) < 0)
      SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors | SDDS_EXIT_PrintErrors);
  }
 
  sprintf(name, "%sFit", yName);
  sprintf(description, "Exponential fit to %s", yName);
  if ((*fitIndex = SDDS_DefineColumn(OutputTable, name, NULL, yUnits, description, NULL, SDDS_DOUBLE, 0)) < 0)
    SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors | SDDS_EXIT_PrintErrors);
 
  inverse_xUnits = makeInverseUnits(xUnits);
 
  if (SDDS_DefineParameter(OutputTable, "expfitConstant", NULL, yUnits, "Constant term from exponential fit",
                           NULL, SDDS_DOUBLE, 0) < 0 ||
      SDDS_DefineParameter(OutputTable, "expfitFactor", NULL, yUnits, "Factor from exponential fit",
                           NULL, SDDS_DOUBLE, 0) < 0 ||
      SDDS_DefineParameter(OutputTable, "expfitRate", NULL, inverse_xUnits, "Rate from exponential fit",
                           NULL, SDDS_DOUBLE, 0) < 0 ||
      SDDS_DefineParameter(OutputTable, "expfitRmsResidual", NULL, yUnits, "RMS residual from exponential fit",
                           NULL, SDDS_DOUBLE, 0) < 0 ||
      SDDS_DefineParameter(OutputTable, "expfitSigLevel", NULL, NULL, "Significance level from chi-squared test", NULL, SDDS_DOUBLE, 0) < 0 ||
      !SDDS_TransferAllParameterDefinitions(OutputTable, InputTable, SDDS_TRANSFER_KEEPOLD) ||
      !SDDS_WriteLayout(OutputTable))
    SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors | SDDS_EXIT_PrintErrors);
}

Variable Documentation

◆ clue_name

char* clue_name[N_CLUE_TYPES]

Initial value:

= {
  "grows", 
  "decays"
}

Definition at line 125 of file sddsexpfit.c.

                                {
  "grows", 
  "decays"
};

◆ fit

double fit[3]

static

Definition at line 108 of file sddsexpfit.c.

◆ nData

int64_t nData

static

Definition at line 106 of file sddsexpfit.c.

◆ option

char* option[N_OPTIONS]

Initial value:

= {
  "tolerance",
  "verbosity",
  "clue",
  "guess",
  "columns",
  "fulloutput",
  "pipe",
  "limits",
  "startvalues",
  "fixvalue",
  "autooffset",
  "majorOrder",
}

Definition at line 73 of file sddsexpfit.c.

                          {
  "tolerance",
  "verbosity",
  "clue",
  "guess",
  "columns",
  "fulloutput",
  "pipe",
  "limits",
  "startvalues",
  "fixvalue",
  "autooffset",
  "majorOrder",
};

◆ syData

double * syData

static

Definition at line 105 of file sddsexpfit.c.

◆ USAGE

char* USAGE

static

Initial value:

=
  "Usage: sddsexpfit [<inputfile>] [<outputfile>]\n"
  "    -pipe=[input][,output]\n"
  "    -fulloutput\n"
  "    -columns=<x-name>,<y-name>[,ySigma=<name>]\n"
  "    -tolerance=<value>\n"
  "    -verbosity=<integer>\n"
  "    -clue={grows|decays}\n"
  "    -guess=<constant>,<factor>,<rate>\n"
  "    -startValues=[constant=<value>][,factor=<value>][,rate=<value>]\n"
  "    -fixValue=[constant=<value>][,factor=<value>][,rate=<value>]\n"
  "    -autoOffset\n"
  "    -limits=[evaluations=<number>][,passes=<number>]\n"
  "    -majorOrder=row|column\n\n"
  "Performs an exponential fit of the form y = <constant> + <factor> * exp(<rate> * x).\n\n"
  "Program by Michael Borland. (" __DATE__ " " __TIME__ ", SVN revision: " SVN_VERSION ")\n"

Definition at line 88 of file sddsexpfit.c.

◆ verbosity

long verbosity

Definition at line 130 of file sddsexpfit.c.

◆ xData

double* xData

static

Definition at line 105 of file sddsexpfit.c.

◆ xMax

double xMax

static

Definition at line 107 of file sddsexpfit.c.

◆ xMin

double xMin

static

Definition at line 107 of file sddsexpfit.c.

◆ yData

double * yData

static

Definition at line 105 of file sddsexpfit.c.

◆ yMax

double yMax

static

Definition at line 107 of file sddsexpfit.c.

◆ yMin

double yMin

static

Definition at line 107 of file sddsexpfit.c.

Macros

Enumerations

Functions

Variables

Detailed Description

Overview

Features

Command Line Options

General Usage

Options

Macro Definition Documentation

◆ CLUE_DECAYS

◆ CLUE_GROWS

◆ FIX_CONSTANT_GIVEN

◆ FIX_FACTOR_GIVEN

◆ FIX_RATE_GIVEN

◆ N_CLUE_TYPES

◆ START_CONSTANT_GIVEN

◆ START_FACTOR_GIVEN

◆ START_RATE_GIVEN

Enumeration Type Documentation

◆ option_type

Function Documentation

◆ fitFunction()

◆ main()

◆ makeInverseUnits()

◆ report()

◆ setupOutputFile()

Variable Documentation

◆ clue_name

◆ fit

◆ nData

◆ option

◆ syData

◆ USAGE

◆ verbosity

◆ xData

◆ xMax

◆ xMin

◆ yData

◆ yMax

◆ yMin