void computeHigherOrderChromaticities(LINE_LIST *beamline, double *clorb, RUN *run,
long concatOrder, double deltaStep, long deltaPoints,
long quickMode)
{
#define MAX_NDELTA_VALUES 101 /* must be at least 5 */
double trace[2][MAX_NDELTA_VALUES], delta[MAX_NDELTA_VALUES];
double eta[6];
double coef[MAX_NDELTA_VALUES], sCoef[MAX_NDELTA_VALUES], chi;
long i, p;
double c1;
VMATRIX M1, M0, *Mp;
if (deltaPoints>MAX_NDELTA_VALUES)
bombElegant("too many points for higher-order chromaticity", NULL);
if (deltaPoints<5)
deltaPoints = 5;
if (!(beamline->matrix))
bombElegant("no matrix for beamline (computeHigherOrderChromaticities)", NULL);
beamline->chrom2[0] = beamline->chrom2[1] = 0;
beamline->chrom3[0] = beamline->chrom3[1] = 0;
initialize_matrices(&M0, 1);
initialize_matrices(&M1, concatOrder);
eta[0] = beamline->twiss0->etax;
eta[1] = beamline->twiss0->etapx;
eta[2] = beamline->twiss0->etay;
eta[3] = beamline->twiss0->etapy;
eta[4] = 0;
eta[5] = 1;
for (p=0; p<deltaPoints; p++) {
delta[p] = (p-(deltaPoints/2+1))*deltaStep;
for (i=0; i<6; i++) {
M0.C[i] = (clorb?clorb[i]:0)+delta[p]*eta[i] +
(i<4? sqr(delta[p])*beamline->eta2[i] + pow3(delta[p])*beamline->eta3[i] : 0);
M0.R[i][i] = 1;
}
if (quickMode)
concat_matrices(Mp=&M1, beamline->matrix, &M0, 0);
else
Mp = append_full_matrix(beamline->elem_twiss, run, &M0, concatOrder);
for (i=0; i<2; i++)
/* Tr[0,1][p] is the trace for x,y plane for point p */
trace[i][p] = Mp->R[2*i][2*i] + Mp->R[2*i+1][2*i+1];
if (!quickMode) {
free_matrices(Mp);
free(Mp);
Mp = NULL;
}
}
for (i=0; i<2; i++) {
lsfn(delta, trace[i], NULL, deltaPoints, (long)(MIN(deltaPoints-2,5)),
coef, sCoef, &chi, NULL);
c1 = -coef[1]/(4*PI*sin(PIx2*beamline->tune[i]));
beamline->chrom2[i] = (
2*coef[2]
+ 8*sqr(PI)*sqr(c1)*cos(PIx2*beamline->tune[i])
)/(-4*PI*sin(PIx2*beamline->tune[i]));
if (quickMode)
beamline->chrom3[i] = 0;
else
beamline->chrom3[i] = (
6*coef[3]
- 16*pow3(PI*c1)*sin(PIx2*beamline->tune[i])
+ 24*sqr(PI)*c1*beamline->chrom2[i]*cos(PIx2*beamline->tune[i])
)/(-4*PI*sin(PIx2*beamline->tune[i]));
}
free_matrices(&M0);
free_matrices(&M1);
}
int main(int argc, char **argv)
{
SCANNED_ARG *scanned;
SDDS_TABLE inputPage, outputPage, residualPage;
char *inputfile, *outputfile;
char **column, **excludeColumn;
int32_t columns;
long excludeColumns;
char *indColumnName;
long verbose;
long iArg, i, j, ipage;
double *indVar, *indVarOrig;
char *indVarUnits;
char **intColumn, **slopeColumn, **slopeSigmaColumn, **interceptSigmaColumn;
char *Units,*slopeUnits;
double *depVar, *depVarOrig;
long order;
double *coef, *coefsigma, *weight, *diff, *diffOrig, chi;
long iCol, iRow;
long rows, rowsOrig;
double rmsResidual;
double slopeSigma, interceptSigma;
char **sigmaColumn, **chiSquaredColumn;
long *sigmaColumnExists;
long doSlopeSigma, generateSigma, doPreliminaryFit;
long validSigmas;
double sigmaSum, averageSigma;
long ascii;
char *residualFile;
unsigned long pipeFlags;
long tmpfile_used, noWarnings;
double xMin, xMax;
indVar = indVarOrig = depVar = depVarOrig = coef = coefsigma = weight = diff = NULL;
intColumn = slopeColumn = slopeSigmaColumn = interceptSigmaColumn = sigmaColumn = chiSquaredColumn = NULL;
slopeUnits = NULL;
sigmaColumnExists = NULL;
SDDS_RegisterProgramName(argv[0]);
argc = scanargs(&scanned, argc, argv);
if (argc == 1)
bomb(NULL, USAGE);
inputfile = outputfile = NULL;
columns = excludeColumns = 0;
column = excludeColumn = NULL;
indColumnName = NULL;
verbose = 0;
doSlopeSigma = 0;
generateSigma = 0;
doPreliminaryFit = 0;
ascii = 0;
pipeFlags = 0;
tmpfile_used=0;
noWarnings=0;
residualFile = NULL;
xMin = xMax = 0;
for (iArg = 1; iArg<argc; iArg++) {
if (scanned[iArg].arg_type == OPTION) {
delete_chars(scanned[iArg].list[0], "_");
switch (match_string(scanned[iArg].list[0], commandline_option, COMMANDLINE_OPTIONS, UNIQUE_MATCH)) {
case CLO_INDEPENDENT_COLUMN:
if (!(indColumnName = scanned[iArg].list[1]))
SDDS_Bomb("no string given for option -independentVariable");
break;
case CLO_COLUMNS:
if (columns)
SDDS_Bomb("only one -columns option may be given");
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -columns syntax");
column = tmalloc(sizeof(*column)*(columns = scanned[iArg].n_items-1));
for (i = 0; i<columns; i++)
column[i] = scanned[iArg].list[i+1];
break;
case CLO_EXCLUDE:
if (excludeColumns)
SDDS_Bomb("only one -excludecolumns option may be given");
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -excludecolumns syntax");
excludeColumn = tmalloc(sizeof(*excludeColumn)*(excludeColumns = scanned[iArg].n_items-1));
for (i = 0; i<excludeColumns; i++)
excludeColumn[i] = scanned[iArg].list[i+1];
break;
case CLO_VERBOSE:
verbose = 1;
break;
case CLO_ASCII:
ascii = 1;
break;
case CLO_PIPE:
if (!processPipeOption(scanned[iArg].list+1, scanned[iArg].n_items-1, &pipeFlags))
SDDS_Bomb("invalid -pipe syntax");
break;
case CLO_SIGMA:
doSlopeSigma = 1;
if (scanned[iArg].n_items > 1 ) {
switch (match_string(scanned[iArg].list[1], sigma_option, SIGMA_OPTIONS, UNIQUE_MATCH)) {
case SIGMA_GENERATE:
generateSigma = 1;
break;
default:
SDDS_Bomb("unrecognized sigma option given");
break;
}
}
break;
case CLO_RESIDUAL:
if (!(residualFile=scanned[iArg].list[1])){
fprintf(stderr,"No file specified in -residual option.\n");
exit(1);
}
break;
case CLO_RANGE:
if (scanned[iArg].n_items!=3 ||
1!=sscanf(scanned[iArg].list[1], "%lf", &xMin) ||
1!=sscanf(scanned[iArg].list[2], "%lf", &xMax) ||
xMin>=xMax)
SDDS_Bomb("incorrect -range syntax");
break;
default:
SDDS_Bomb("unrecognized option given");
break;
}
}
else {
if (!inputfile)
inputfile = scanned[iArg].list[0];
else if (!outputfile)
outputfile = scanned[iArg].list[0];
else
SDDS_Bomb("too many filenames given");
}
}
if (residualFile && outputfile) {
if (!strcmp( residualFile, outputfile)) {
fprintf( stderr, "Residual file can't be the same as the output file.\n");
exit(1);
}
}
processFilenames("sddsslopes", &inputfile, &outputfile, pipeFlags, noWarnings, &tmpfile_used);
if (!indColumnName) {
fprintf( stderr, "independentVariable not given\n");
exit(1);
}
if (!excludeColumns) {
excludeColumn = defaultExcludedColumn;
excludeColumns = DEFAULT_EXCLUDED_COLUMNS;
}
if (verbose)
fprintf(stderr,"Reading file %s.\n",inputfile);
if ( !SDDS_InitializeInput( &inputPage, inputfile) )
SDDS_PrintErrors( stderr, SDDS_EXIT_PrintErrors|SDDS_VERBOSE_PrintErrors);
while (0 < (ipage=SDDS_ReadTable( &inputPage))) {
if (verbose) {
fprintf(stderr, "working on page %ld\n", ipage);
}
rows = SDDS_CountRowsOfInterest(&inputPage);
rowsOrig = rows;
/*************************************\
* make array of independent variable
\*************************************/
if (ipage==1) {
indVar = (double*) malloc( sizeof(*indVar) * rows);
}
else {
indVar = (double*) realloc( indVar, sizeof(*indVar) * rows);
}
if (ipage==1) {
if (!SDDS_FindColumn(&inputPage, FIND_NUMERIC_TYPE, indColumnName, NULL)){
fprintf(stderr,"Something wrong with column %s.\n", indColumnName);
SDDS_CheckColumn(&inputPage, indColumnName, NULL, SDDS_ANY_NUMERIC_TYPE, stderr);
exit(1);
}
}
/* filter out the specified range in independent variable */
if (xMin!=xMax) {
if (!(indVarOrig = SDDS_GetColumnInDoubles( &inputPage, indColumnName)))
SDDS_PrintErrors( stderr, SDDS_EXIT_PrintErrors|SDDS_VERBOSE_PrintErrors);
for (i=j=0; i<rowsOrig; i++) {
if (indVarOrig[i]<=xMax && indVarOrig[i]>=xMin) {
indVar[j] = indVarOrig[i];
j++;
}
}
rows = j;
}
else {
if (!(indVar = SDDS_GetColumnInDoubles( &inputPage, indColumnName)))
SDDS_PrintErrors( stderr, SDDS_EXIT_PrintErrors|SDDS_VERBOSE_PrintErrors);
}
if ( ipage == 1 ) {
if (!SDDS_GetColumnInformation(&inputPage, "units", &indVarUnits, SDDS_GET_BY_NAME, indColumnName))
SDDS_PrintErrors( stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!indVarUnits) {
indVarUnits = (char *) malloc(sizeof(*indVarUnits));
indVarUnits[0] = 0;
}
}
/************************************\
* initialize residual file
\************************************/
if (residualFile) {
if ( ipage == 1 ) {
if(!SDDS_InitializeOutput(&residualPage,ascii?SDDS_ASCII:SDDS_BINARY,1,
"Residual of 2-term fit",NULL,outputfile) ||
!SDDS_InitializeCopy(&residualPage, &inputPage, residualFile, "w") ||
!SDDS_WriteLayout(&residualPage) )
SDDS_PrintErrors(stderr,SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (!SDDS_CopyPage(&residualPage,&inputPage))
SDDS_PrintErrors(stderr,SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
/************************************\
* get columns of interest. use set_multicolumn_flags to simply
* return new values for array column.
\*************************************/
if (!set_multicolumn_flags(&inputPage, &column, &columns, excludeColumn, excludeColumns)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
/************************************\
* make column names for the output
\*************************************/
if (ipage==1) {
intColumn = (char**) malloc((sizeof(char*)*columns));
slopeColumn = (char**) malloc((sizeof(char*)*columns));
if (doSlopeSigma) {
slopeSigmaColumn = (char**) malloc((sizeof(char*)*columns));
interceptSigmaColumn = (char**) malloc((sizeof(char*)*columns));
chiSquaredColumn = (char**) malloc((sizeof(char*)*columns));
}
for (i=0; i<columns; i++) {
intColumn[i] = (char*) malloc((sizeof(char)*(strlen(column[i])+strlen("Intercept")+1)));
strcat(strcpy(intColumn[i], column[i]), "Intercept");
slopeColumn[i] = (char*) malloc((sizeof(char)*(strlen(column[i])+strlen("Slope")+1)));
strcat(strcpy(slopeColumn[i], column[i]), "Slope");
if (doSlopeSigma) {
slopeSigmaColumn[i] = (char*) malloc((sizeof(char)*(strlen(column[i])+strlen("SlopeSigma")+1)));
strcat(strcpy(slopeSigmaColumn[i], column[i]), "SlopeSigma");
interceptSigmaColumn[i] = (char*) malloc((sizeof(char)*(strlen(column[i])+strlen("InterceptSigma")+1)));
strcat(strcpy(interceptSigmaColumn[i], column[i]), "InterceptSigma");
chiSquaredColumn[i] = (char*) malloc((sizeof(char)*(strlen(column[i])+strlen("ChiSquared")+1)));
strcat(strcpy(chiSquaredColumn[i], column[i]), "ChiSquared");
}
}
}
/************************************\
* Write layout for output file
\*************************************/
if (ipage==1) {
if (verbose)
fprintf(stderr,"Opening file %s.\n",outputfile);
if(!SDDS_InitializeOutput(&outputPage,ascii?SDDS_ASCII:SDDS_BINARY,1,
"2-term fit",NULL,outputfile) ||
0>SDDS_DefineParameter(&outputPage, "InputFile", "InputFile", NULL,
"InputFile", NULL, SDDS_STRING, 0) ||
0>SDDS_DefineColumn(&outputPage, "IndependentVariable", NULL, NULL, NULL, NULL, SDDS_STRING,0) )
SDDS_PrintErrors(stderr,SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
for (iCol=0; iCol<columns; iCol++) {
if (!SDDS_GetColumnInformation(&inputPage, "units", &Units, SDDS_GET_BY_NAME, column[iCol]))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!Units) {
Units = (char*) malloc(sizeof(*Units));
Units[0] = 0;
}
if (0>SDDS_DefineColumn(&outputPage, intColumn[iCol], NULL, Units, NULL, NULL, SDDS_DOUBLE,0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
/* units for slopes columns */
if (strlen(indVarUnits) && strlen(Units) ) {
slopeUnits = (char*)malloc(sizeof(*slopeUnits)*(strlen(Units)+strlen(indVarUnits)+2));
strcat( strcat( strcpy(slopeUnits, Units), "/"), indVarUnits);
}
if (strlen(indVarUnits) && !strlen(Units) ) {
slopeUnits = (char*)malloc(sizeof(*slopeUnits)*(strlen(indVarUnits)+2));
strcat( strcpy( slopeUnits, "1/"), indVarUnits);
}
if (!strlen(indVarUnits) && strlen(Units) ) {
slopeUnits = (char*)malloc(sizeof(*slopeUnits)*(strlen(Units)+2));
strcpy( slopeUnits, indVarUnits);
}
if (!strlen(indVarUnits) && !strlen(Units) ) {
slopeUnits = (char*)malloc(sizeof(*slopeUnits));
strcpy( slopeUnits, "");
}
if (0>SDDS_DefineColumn(&outputPage, slopeColumn[iCol], NULL, slopeUnits, NULL, NULL, SDDS_DOUBLE,0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (doSlopeSigma) {
if (0>SDDS_DefineColumn(&outputPage, interceptSigmaColumn[iCol], NULL, Units,
NULL, NULL, SDDS_DOUBLE,0) ||
0>SDDS_DefineColumn(&outputPage, slopeSigmaColumn[iCol], NULL, slopeUnits,
NULL, NULL, SDDS_DOUBLE,0) ||
0>SDDS_DefineColumn(&outputPage, chiSquaredColumn[iCol], NULL, NULL,
NULL, NULL, SDDS_DOUBLE,0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
free(slopeUnits);
}
if ( !SDDS_WriteLayout(&outputPage))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if ( !SDDS_StartTable(&outputPage,1) ||
!SDDS_SetParameters(&outputPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_VALUE,
"InputFile",inputfile?inputfile:"pipe",NULL) ||
!SDDS_SetRowValues(&outputPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_VALUE, 0,
"IndependentVariable", indColumnName, NULL) )
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
/* determine which included columns has a Sigma column defined in the input file */
if ( ipage == 1 ) {
sigmaColumn = (char **) malloc( sizeof(*sigmaColumn)*columns);
sigmaColumnExists = (long *) malloc(columns*sizeof(*sigmaColumnExists));
for (iCol=0; iCol<columns; iCol++) {
sigmaColumn[iCol] = (char *) malloc( sizeof(**sigmaColumn) *
(strlen(column[iCol]) + strlen("Sigma") + 1) );
strcat( strcpy(sigmaColumn[iCol], column[iCol]), "Sigma");
switch(SDDS_CheckColumn(&inputPage, sigmaColumn[iCol], NULL, SDDS_DOUBLE, NULL)) {
case SDDS_CHECK_WRONGUNITS:
case SDDS_CHECK_OKAY:
sigmaColumnExists[iCol] = 1;
break;
default:
/* try other possible spelling */
strcat( strcpy(sigmaColumn[iCol] ,"Sigma"), column[iCol]);
switch(SDDS_CheckColumn(&inputPage, sigmaColumn[iCol], NULL, SDDS_DOUBLE, NULL)) {
case SDDS_CHECK_WRONGUNITS:
case SDDS_CHECK_OKAY:
sigmaColumnExists[iCol] = 1;
break;
default:
sigmaColumnExists[iCol] = 0;
}
break;
}
}
}
if ( ipage == 1 ) {
weight = (double*)malloc(sizeof(*weight)*rows);
diff = (double*)malloc(sizeof(*diff)*rows);
order=1;
coef = (double*)malloc(sizeof(*coef)*(order+1));
coefsigma = (double*)malloc(sizeof(*coefsigma)*(order+1));
}
else {
weight = (double*)realloc( weight, sizeof(*weight)*rows);
diff = (double*)realloc( diff, sizeof(*diff)*rows);
order=1;
coef = (double*)realloc( coef, sizeof(*coef)*(order+1));
coefsigma = (double*)realloc( coefsigma, sizeof(*coefsigma)*(order+1));
}
if (ipage==1) {
depVar = (double*) malloc( sizeof(*depVar) * rows);
}
else {
depVar = (double*) realloc( depVar, sizeof(*depVar) * rows);
}
for (iCol=0; iCol<columns; iCol++) {
if (verbose)
fprintf(stderr,"Doing column %s.\n", column[iCol]);
/* filter out the specified range in independent variable */
if (xMin!=xMax) {
if (!(depVarOrig = (double*) SDDS_GetColumnInDoubles(&inputPage, column[iCol])))
SDDS_PrintErrors(stderr, SDDS_EXIT_PrintErrors|SDDS_VERBOSE_PrintErrors);
for (i=j=0; i<rowsOrig; i++) {
if ( xMin <= indVarOrig[i] && indVarOrig[i] <= xMax ) {
depVar[j] = depVarOrig[i];
j++;
}
}
}
else {
if (!(depVar=SDDS_GetColumnInDoubles(&inputPage, column[iCol])))
SDDS_PrintErrors(stderr, SDDS_EXIT_PrintErrors|SDDS_VERBOSE_PrintErrors);
}
/*********************
three possibilities:
1) don't do or write slope errors. (doSlopeSigma=0)
do one lsf call with all weights = 1
2) calculated slope errors from sigma columns in the input file.
(doSlopeSigma=1 && generateSigma=0 && sigmaColumnExists[iCol]=1 )
do one lsf call with weights from sigma columns
3) calculate slope errors from generated sigma from a preliminary fit.
(doSlopeSigma=1 && (generateSigma=1 || sigmaColumnExists[iCol]=NULL)
do preliminary fit to generate sigma
*********************/
for (iRow=0; iRow<rows; iRow++)
weight[iRow] = 1;
if (doSlopeSigma) {
/*********************
check validity of sigma column values
*********************/
if( !generateSigma && sigmaColumnExists[iCol]) {
if (verbose)
fprintf(stderr,"\tUsing column %s for sigma.\n",sigmaColumn[iCol]);
if(!(weight=SDDS_GetColumnInDoubles(&inputPage, sigmaColumn[iCol])))
SDDS_PrintErrors(stderr, SDDS_EXIT_PrintErrors|SDDS_VERBOSE_PrintErrors);
/* check for zero weight values which will give lsfn problems */
validSigmas = rows;
sigmaSum = 0;
for (iRow=0; iRow<rows; iRow++) {
sigmaSum += weight[iRow];
if(!weight[iRow]) {
validSigmas--;
/*
fprintf(stderr,"Warning: %s of row number %ld is zero. Using average sigma.\n",sigmaColumn[iCol],iRow); */
}
}
if (!validSigmas) {
fprintf(stderr,"Warning: All sigmas are zero.\n");
doPreliminaryFit = 1;
}
else if (validSigmas!=rows) {
/* fix some sigmas */
averageSigma = sigmaSum/ validSigmas;
fprintf(stderr, "Warning: replacing %ld invalid sigmas with average (%e)\n",
rows-validSigmas, averageSigma);
for (iRow=0; iRow<rows; iRow++) {
if(!weight[iRow]) {
weight[iRow] = averageSigma;
}
}
}
}
else {
doPreliminaryFit = 1;
}
}
if (doPreliminaryFit) {
if (verbose)
fprintf(stderr,"\tGenerating sigmas from rms residual of a preliminary fit.\n");
if (!(lsfn(indVar, depVar, weight, rows, order, coef, coefsigma, &chi, diff))){
fprintf(stderr,"Problem with call to lsfn\n.");
exit(1);
}
rmsResidual = 0;
/* calculate rms residual */
for (iRow=0; iRow<rows; iRow++) {
rmsResidual += sqr(diff[iRow]);
}
rmsResidual = sqrt(rmsResidual/(rows));
for (iRow=0; iRow<rows; iRow++) {
weight[iRow] = rmsResidual;
}
}
if (!(lsfn(indVar, depVar, weight, rows, order, coef, coefsigma, &chi, diff))) {
fprintf(stderr,"Problem with call to lsfn\n.");
exit(1);
}
if (!SDDS_SetRowValues(&outputPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_VALUE, 0,
intColumn[iCol], coef[0],
slopeColumn[iCol], coef[1], NULL))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (doSlopeSigma) {
interceptSigma = coefsigma[0];
slopeSigma = coefsigma[1];
if (!SDDS_SetRowValues(&outputPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_VALUE, 0,
chiSquaredColumn[iCol], chi,
interceptSigmaColumn[iCol], interceptSigma,
slopeSigmaColumn[iCol], slopeSigma, NULL))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (residualFile) {
if (xMin!=xMax) {
/* calculate the residuals for the whole column explicitly since there
are points outside the range of which the lsf call did not calculate
the difference. */
diffOrig = (double*) malloc( rowsOrig * sizeof(double) );
for (i=0; i<rowsOrig; i++) {
diffOrig[i] = depVarOrig[i] - coef[0] - coef[1] * indVarOrig[i];
}
if( !SDDS_SetColumnFromDoubles(&residualPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_REFERENCE,
diffOrig,rowsOrig,column[iCol]))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
else {
if( !SDDS_SetColumnFromDoubles(&residualPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_REFERENCE,
diff,rows,column[iCol]))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
}
}
if (residualFile) {
if (!SDDS_WriteTable(&residualPage))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (!SDDS_WriteTable(&outputPage))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if (residualFile) {
if (!SDDS_Terminate(&residualPage))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if(!SDDS_Terminate(&inputPage) || !SDDS_Terminate(&outputPage))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (tmpfile_used && !replaceFileAndBackUp(inputfile, outputfile))
exit(1);
return(0);
}
int main(int argc, char **argv)
{
SCANNED_ARG *scanned;
SDDS_TABLE inputPage, *copiedPage, outputPage;
long copiedPages;
char *inputfile, *outputfile;
char **column, **excludeColumn=NULL;
int32_t columns;
long excludeColumns;
char *indParameterName;
char **copyColumn;
int32_t copyColumns;
long verbose;
long slopeErrors;
long iArg,i;
double *indVar;
char *indVarUnits;
char **intColumn,**slopeColumn,**slopeSigmaColumn;
char *Units,*slopeUnits;
double *depVar;
long order;
double *coef,*coefsigma,*weight,*diff,chi;
long iCol,iRow,iPage;
long rows;
double *slope, slope2, slopeAve, slopeSigma;
unsigned long pipeFlags, majorOrderFlag;
long tmpfile_used, noWarnings;
long generateIndex;
short columnMajorOrder=-1;
copiedPage = NULL;
slopeSigmaColumn = NULL;
slopeUnits = Units = indVarUnits = NULL;
rows = 0;
slope = NULL;
slope2 = 0;
coef = coefsigma = weight = diff = slope = NULL;
argc = scanargs(&scanned, argc, argv);
if (argc == 1)
bomb(NULL, USAGE);
inputfile = outputfile = NULL;
columns = excludeColumns = 0;
column = excludeColumn = NULL;
indParameterName = NULL;
verbose = 0;
slopeErrors = 0;
pipeFlags = 0;
tmpfile_used=0;
noWarnings=0;
for (iArg = 1; iArg<argc; iArg++) {
if (scanned[iArg].arg_type == OPTION) {
delete_chars(scanned[iArg].list[0], "_");
switch (match_string(scanned[iArg].list[0], commandline_option, COMMANDLINE_OPTIONS, UNIQUE_MATCH)) {
case CLO_MAJOR_ORDER:
majorOrderFlag=0;
scanned[iArg].n_items--;
if (scanned[iArg].n_items>0 &&
(!scanItemList(&majorOrderFlag, scanned[iArg].list+1, &scanned[iArg].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 CLO_INDEPENDENT_PARAMETER:
if (!(indParameterName = scanned[iArg].list[1]))
SDDS_Bomb("no string given for option -independentVariable");
break;
case CLO_COLUMNS:
if (columns)
SDDS_Bomb("only one -columns option may be given");
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -columns syntax");
column = tmalloc(sizeof(*column)*(columns = scanned[iArg].n_items-1));
for (i = 0; i<columns; i++)
column[i] = scanned[iArg].list[i+1];
break;
case CLO_EXCLUDE:
if (excludeColumns)
SDDS_Bomb("only one -excludecolumns option may be given");
if (scanned[iArg].n_items<2)
SDDS_Bomb("invalid -excludecolumns syntax");
excludeColumn = tmalloc(sizeof(*excludeColumn)*(excludeColumns = scanned[iArg].n_items-1));
for (i = 0; i<excludeColumns; i++)
excludeColumn[i] = scanned[iArg].list[i+1];
break;
case CLO_VERBOSE:
verbose = 1;
break;
case CLO_PIPE:
if (!processPipeOption(scanned[iArg].list+1, scanned[iArg].n_items-1, &pipeFlags))
SDDS_Bomb("invalid -pipe syntax");
break;
case CLO_SLOPE_ERRORS:
slopeErrors = 1;
break;
default:
SDDS_Bomb("unrecognized option given");
break;
}
}
else {
if (!inputfile)
inputfile = scanned[iArg].list[0];
else if (!outputfile)
outputfile = scanned[iArg].list[0];
else
SDDS_Bomb("too many filenames given");
}
}
processFilenames("sddsvslopes", &inputfile, &outputfile, pipeFlags, noWarnings, &tmpfile_used);
if (!indParameterName)
SDDS_Bomb("independentVariable not given");
if (!excludeColumns) {
excludeColumn = defaultExcludedColumn;
excludeColumns = DEFAULT_EXCLUDED_COLUMNS;
}
if (verbose)
fprintf(stderr,"Reading file %s.\n",inputfile);
SDDS_InitializeInput(&inputPage, inputfile);
copiedPages = 0;
while (SDDS_ReadTable(&inputPage)>0) {
if (!copiedPages) {
copiedPage = (SDDS_TABLE*)malloc(sizeof(SDDS_TABLE));
rows = SDDS_CountRowsOfInterest(&inputPage);
}
else {
copiedPage = (SDDS_TABLE*)realloc(copiedPage, (copiedPages+1)*sizeof(SDDS_TABLE));
}
if (!SDDS_InitializeCopy(&copiedPage[copiedPages], &inputPage, NULL, "m"))
SDDS_PrintErrors(stderr, SDDS_EXIT_PrintErrors|SDDS_VERBOSE_PrintErrors);
if (!SDDS_CopyTable(&copiedPage[copiedPages], &inputPage))
SDDS_PrintErrors(stderr, SDDS_EXIT_PrintErrors|SDDS_VERBOSE_PrintErrors);
copiedPages++;
}
if (copiedPages<2) {
fprintf(stderr,"Insufficient data (i.e. number of data pages) to fit a straight line.\n");
exit(1);
}
switch(SDDS_CheckColumn(&inputPage, "Rootname", NULL, SDDS_STRING, NULL)) {
case SDDS_CHECK_WRONGUNITS:
case SDDS_CHECK_OKAY:
break;
default:
fprintf(stderr,"Something wrong with column %s.\n", "Rootname");
exit(1);
}
switch(SDDS_CheckColumn(&inputPage, "Index", NULL, SDDS_LONG, NULL)) {
case SDDS_CHECK_WRONGUNITS:
case SDDS_CHECK_OKAY:
generateIndex = 0;
break;
case SDDS_CHECK_NONEXISTENT:
generateIndex = 1;
break;
default:
fprintf(stderr,"Something wrong with column %s.\n", "Rootname");
exit(1);
}
/****************\
* make array of independent variable
\**************/
indVar = (double*)malloc(sizeof(*indVar)*copiedPages);
switch(SDDS_CheckParameter(&inputPage, indParameterName, NULL, SDDS_DOUBLE, NULL)) {
case SDDS_CHECK_WRONGUNITS:
case SDDS_CHECK_OKAY:
break;
default:
fprintf(stderr,"Something wrong with parameter %s.\n", indParameterName);
exit(1);
}
for (iPage = 0; iPage<copiedPages; iPage++) {
if (!SDDS_GetParameter(&copiedPage[iPage],indParameterName,&indVar[iPage]))
SDDS_PrintErrors(stderr, SDDS_EXIT_PrintErrors|SDDS_VERBOSE_PrintErrors);
}
if (!SDDS_GetParameterInformation(&inputPage, "units", &indVarUnits, SDDS_GET_BY_NAME, indParameterName))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!indVarUnits) {
indVarUnits = (char *) malloc(sizeof(*indVarUnits));
indVarUnits[0] = 0;
}
/************************************\
* get columns of interest. use set_multicolumn_flags to simply
* return new values for array column.
\*************************************/
if (!set_multicolumn_flags(&inputPage, &column, &columns, excludeColumn, excludeColumns)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors);
exit(1);
}
/************************************\
* make column names for the output
\*************************************/
intColumn = (char**)malloc((sizeof(char*)*columns));
slopeColumn = (char**)malloc((sizeof(char*)*columns));
if (slopeErrors)
slopeSigmaColumn = (char**)malloc((sizeof(char*)*columns));
for (i=0; i<columns; i++) {
intColumn[i] = (char*)malloc((sizeof(char)*(strlen(column[i])+strlen("Intercept")+1)));
strcat(strcpy(intColumn[i], column[i]), "Intercept");
slopeColumn[i] = (char*)malloc((sizeof(char)*(strlen(column[i])+strlen("Slope")+1)));
strcat(strcpy(slopeColumn[i], column[i]), "Slope");
if (slopeErrors) {
slopeSigmaColumn[i] = (char*)malloc((sizeof(char)*(strlen(column[i])+strlen("SlopeSigma")+1)));
strcat(strcpy(slopeSigmaColumn[i], column[i]), "SlopeSigma");
}
}
/************************************\
* Write layout for output file
\*************************************/
if (verbose)
fprintf(stderr,"Opening file %s.\n",outputfile);
if(!SDDS_InitializeOutput(&outputPage,SDDS_BINARY,1,
"lsf of sddsvexperiment",NULL,outputfile) ||
0>SDDS_DefineParameter(&outputPage, "InputFile", "InputFile", NULL,
"InputFile", NULL, SDDS_STRING, 0) ||
0>SDDS_DefineParameter(&outputPage, "IndependentVariable", "IndependentVariable", NULL,
"IndependentVariable", NULL, SDDS_STRING, 0) ||
(0>SDDS_DefineColumn(&outputPage,"Index",NULL,NULL,"Rootname index",NULL,SDDS_LONG,0))||
(0>SDDS_DefineColumn(&outputPage,"Rootname",NULL,NULL,NULL,NULL,SDDS_STRING,0)))
SDDS_PrintErrors(stderr,SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (columnMajorOrder!=-1)
outputPage.layout.data_mode.column_major = columnMajorOrder;
else
outputPage.layout.data_mode.column_major = inputPage.layout.data_mode.column_major;
for (iCol=0; iCol<columns; iCol++) {
if (!SDDS_GetColumnInformation(&inputPage, "units", &Units, SDDS_GET_BY_NAME,column[iCol]))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (!Units) {
Units = (char*) malloc(sizeof(*Units));
Units[0] = 0;
}
if (0>SDDS_DefineColumn(&outputPage, intColumn[iCol], NULL, Units, NULL, NULL, SDDS_DOUBLE,0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
/* units for slopes columns */
if (strlen(indVarUnits) && strlen(Units) ) {
slopeUnits = (char*)malloc(sizeof(*slopeUnits)*(strlen(Units)+strlen(indVarUnits)+2));
strcat( strcat( strcpy(slopeUnits, Units), "/"), indVarUnits);
}
if (strlen(indVarUnits) && !strlen(Units) ) {
slopeUnits = (char*)malloc(sizeof(*slopeUnits)*(strlen(indVarUnits)+2));
strcat( strcpy( slopeUnits, "1/"), indVarUnits);
}
if (!strlen(indVarUnits) && strlen(Units) ) {
slopeUnits = (char*)malloc(sizeof(*slopeUnits)*(strlen(Units)+2));
strcpy( slopeUnits, indVarUnits);
}
if (!strlen(indVarUnits) && !strlen(Units) ) {
slopeUnits = (char*)malloc(sizeof(*slopeUnits));
strcpy( slopeUnits, "");
}
if (0>SDDS_DefineColumn(&outputPage, slopeColumn[iCol], NULL, slopeUnits, NULL, NULL, SDDS_DOUBLE,0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (slopeErrors) {
if (0>SDDS_DefineColumn(&outputPage, slopeSigmaColumn[iCol], NULL, slopeUnits, NULL, NULL, SDDS_DOUBLE,0))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
free(slopeUnits);
}
if(!SDDS_WriteLayout(&outputPage) ||
!SDDS_StartTable(&outputPage,rows) ||
!SDDS_SetParameters(&outputPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_VALUE,
"InputFile",inputfile?inputfile:"pipe",NULL) ||
!SDDS_SetParameters(&outputPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_VALUE, 0,
"IndependentVariable", indParameterName, NULL) )
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
/************************************\
* Copy columns to output file (usually columns Index and Rootname)
\*************************************/
copyColumns = DEFAULT_COPY_COLUMNS;
copyColumn = defaultCopyColumn;
if (!set_multicolumn_flags(&inputPage, ©Column, ©Columns, NULL, 0)) {
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
exit(1);
}
if(!SDDS_CopyColumns(&outputPage, &inputPage))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
depVar = (double*)malloc(sizeof(*depVar)*copiedPages);
weight = (double*)malloc(sizeof(*weight)*copiedPages);
diff = (double*)malloc(sizeof(*weight)*copiedPages);
order=1;
coef = (double*)malloc(sizeof(*coef)*(order+1));
coefsigma = (double*)malloc(sizeof(*coefsigma)*(order+1));
if(slopeErrors)
slope = (double*)malloc(sizeof(*slope)*copiedPages);
for (iCol=0; iCol<columns; iCol++) {
for (iPage=0; iPage<copiedPages; iPage++)
weight[iPage]=1;
if (verbose)
fprintf(stderr,"Doing column %s.\n", column[iCol]);
for (iRow=0; iRow<rows; iRow++) {
for (iPage=0; iPage<copiedPages; iPage++) {
if (!SDDS_GetValue(&copiedPage[iPage], column[iCol], iRow, &depVar[iPage]))
SDDS_PrintErrors(stderr, SDDS_EXIT_PrintErrors|SDDS_VERBOSE_PrintErrors);
}
if (!(lsfn(indVar, depVar, weight, copiedPages, order, coef, coefsigma, &chi, diff))){
fprintf(stderr,"Problem with call to lsfn\n.");
exit(1);
}
if (generateIndex) {
if (!SDDS_SetRowValues(&outputPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_VALUE, iRow,
"Index",iRow,
intColumn[iCol], coef[0],
slopeColumn[iCol], coef[1], NULL))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
else {
if (!SDDS_SetRowValues(&outputPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_VALUE, iRow,
intColumn[iCol], coef[0],
slopeColumn[iCol], coef[1], NULL))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if(slopeErrors){
/* recalculate the slope with a subset of points */
slopeAve= slope2 = 0;
for (iPage=0; iPage<copiedPages; iPage++) {
weight[iPage] = 1e10;
if(iPage)
weight[iPage-1] = 1;
if (!(lsfn(indVar, depVar, weight, copiedPages, order, coef, coefsigma, &chi, diff))){
fprintf(stderr,"Problem with call to lsfn\n.");
exit(1);
}
slope[iPage] = coef[1];
slopeAve += slope[iPage];
slope2 += sqr(slope[iPage]);
}
slopeSigma = sqrt(slope2/copiedPages - sqr(slopeAve/copiedPages));
if (!SDDS_SetRowValues(&outputPage, SDDS_SET_BY_NAME|SDDS_PASS_BY_VALUE, iRow,
slopeSigmaColumn[iCol], slopeSigma, NULL))
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
}
}
if( !SDDS_WriteTable(&outputPage)|| SDDS_Terminate(&inputPage) )
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
for (iPage=0; iPage<copiedPages; iPage++) {
if( !SDDS_Terminate(&copiedPage[iPage]) )
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
}
if( SDDS_Terminate(&outputPage) )
SDDS_PrintErrors(stderr, SDDS_VERBOSE_PrintErrors|SDDS_EXIT_PrintErrors);
if (tmpfile_used && !replaceFileAndBackUp(inputfile, outputfile))
exit(1);
SDDS_FreeStringArray(column, columns);
free(column);
SDDS_FreeStringArray(intColumn, columns);
SDDS_FreeStringArray(slopeColumn, columns);
free(intColumn);
free(slopeColumn);
if (slopeErrors) {
SDDS_FreeStringArray(slopeSigmaColumn, columns);
free(slopeSigmaColumn);
}
free(copiedPage);
free(indVar);
free(depVar);
if (weight)
free(weight);
if (diff)
free(diff);
if (slope)
free(slope);
if (coef) free(coef);
if (coefsigma) free(coefsigma);
if (Units) free(Units);
if (indVarUnits) free(indVarUnits);
free_scanargs(&scanned, argc);
return(0);
}
