diff --git a/TODO b/TODO
index 0e90102f309c232dca2a3886f15671fea11c0e81..4a0284b1d6cec7db86200f4331b83b497a2c4d09 100644
--- a/TODO
+++ b/TODO
@@ -1,100 +1,79 @@
== BUGS ==
-- as-on-disk indicator broken
+- coord name algebra
+- convolutand must not be defined over full energy range
-== WISHLIST ==
+== TO CHECK ==
-= eilt ==
+- as-on-disk indicator repaired
+- review definition of cauchy(,)
-- coq
-- Fehlerbalken in opr
-- plot errorbars on/off (ge)
+== WISHLIST: TODO ==
-WISHLIST TOFTOF
-- Simultanfit
-- DOS
-- detailed balance
-- rtof: Direkteinlese
+- user interface
+ - restore ask callback help for lists (prompt for list, not for string)
+ - restore help on "?" (e.g. expression help for 'md')
+ - 'hf' add explanation (formulae)
+ - 'gp!' <filename> ?
+ - 'op' to give expressions for all parameters
+ - 'dp' output for #spec>1 is obfuscated
-WISHLIST JWu
-- distribute wupscat, wupsbb
-- restore ask callback help for lists (prompt for list, not for string)
-- restore help on "?"
-- wenn oio mehrere einzelne Spektren liefert, automatisch in einen File packen
-- review definition of cauchy(,)
-- curve: restricted fit range
-- convolution with fits ? splines ?
-- convolutand must not be defined over full energy range
-- mfj remove redundant doc lines
-- dp output for #spec>1 is obfuscated
-- coord name algebra
-- pipes to avoid unnecessary files
-- Debye function
+- docu lines and num pars
+ - 'ed' should allow editing
+ - 'mfj' remove redundant doc lines
+ - 'dn' inconsistent ?
+ - check for completeness
+ - in graph file: format should allow easy read-in
+ - 'cp' zeigt manchmal zuviel: Anzeige ohne Par-List
- customization
- frida.ini location via -D
- private ini file
- - additional settings: graph mode; debug mode (e.g. gnuplot monitor)
+ - additional settings:
+ - let user choose points/line
+ - let user choose color/symbol/linestyle
+ - debug mode (e.g. gnuplot monitor)
-- distinguish opr-functions (for modifications, with error propagation) and
- and fit functions (allowing for ad-hoc additions)
+- allow ad-hoc addition of fit functions
+ (plugin ? distinguish from opr-functions ?)
+ - plot accessible Q-E-space
+ - Debye function
-SEBASTIAN
+- improve existing methods
+ - 'oio' wenn mehrere Files mit rank=2, automatisch in einen File packen
+ - 'oixy': auch 'oixyd'
+- distribution
+ - include wupscat, wupsbb
-= vorrangig =
-- what is dn?
-- set fit range
-- default empty mydefs.ini file, not overwritten by new frida version
+== PROJECTS ==
-= wünschenswert =
+- detailed balance
-- legend in plot window
-- oio FWHM # ?
-- 2D plots using pm3d # was ist das ?
-- plot accessible Q-E-space # Konzept ?
-- avg, int, sum in oi
-- "op" to give expressions for all parameters
-- let user choose points/line
-- let user choose color/symbol/linestyle
-- gp <filename> # gp: ? (allg. konzept. Problem: optionale Param.)
+- Simultanfit
+
+- DOS
-= documentation and online help =
+- pipes to avoid unnecessary files
-- List of functions (gauss, cauchy, ...) with the corresponding expressions
-- give more help -- e.g. what does "md" expect?
+- avg, int, sum in oi
-== ON HOLD ==
+- 2d plots using pm3d # was ist das ?
-= gerne, wenn's jemand tut =
+- 'msb' reaktivieren
-- complete read i96 support
+- splines (e.g. to approximate measured resolution)
-= gerne, wenn ich wüsste wie =
+- convolution with function
+ - with spline
+ - with TOFTOF model
+
+
+== WAITING FOR CLUE ==
- Ctrl+C to abort fit
- oyo; [15,j,0] --> i, y2, ... # nicht so, aber .. ??
- dirac outside conv does not really make sense # call it "resol" ??
-- normal gnuplot keys in plot window ("L" for logarithmic y scaling, zoom with mouse, ...)
-
-= verstehe ich noch nicht =
-
-- allow "for loops" in fit functions
-- cut file with many z values
-- allow a w-dependent expression for the resolution
-- make comments in ps file complete (was somehow not complete in the apparent elastic intensity case)
-- extract these commands from a ps file and "\i" it (to change limits, for example)
-- command to show only fit function (and then possibly "> file.txt")
-- save projects # reicht history nicht ?
-- after cc, op... plot does not work
-- calculate fit explicitely for export
-
-= überzeugt mich nicht =
-
-- Access to all GSL functions # unabsehbar viele, nur nach Bedarf
-- allow to start bins at >0 # dann werden Anfang und Ende asymmetr. behandelt
-- ". k \n" should be equal to ". \n k \n" # Konzept ?
-- instead "*.2" "*::2"? # Vorteil ??
-- "exit" as synonym for "quit"
-- why does "dz" show information about x values? # why not ? Gegenvorschlag ?
-- let user create comments which are shown with df # wer tippt Kommentare ?
+- legend in plot window
+- residual plot
+- Graphik über Asymptote ? Oder besser gnuplot lernen ??
\ No newline at end of file
diff --git a/pub/CHANGELOG b/pub/CHANGELOG
index 28bb693febdb3e27fea4ee9ca6ec5040f64728e2..12f1fa20ea66497100ff29909e203c178040936e 100644
--- a/pub/CHANGELOG
+++ b/pub/CHANGELOG
@@ -4,6 +4,8 @@ Release
- error propagation now working for 'm' and 'ox', 'oy', .. operations
- '\wh' meta command: write history, using GNU history
- 'mpaea', 'mpaer': binning that keeps error bars below given bound
+ - 'ge': switch error bar plotting on/off
+ - 'cr': set restrictions for fit range
- changes in user interface:
- curve evaluation expression: now c[]() instead of f[]()
- 'mdy-' removed: to suppress error bars, now use oy y+-0
diff --git a/pub/src/curve.cpp b/pub/src/curve.cpp
index cc0881ccc88a184f2d70b81fd191ec992b9dcd9d..3fc7ba42ef9f9b02bb2d6cfd20fda8a95ebbf3fd 100644
--- a/pub/src/curve.cpp
+++ b/pub/src/curve.cpp
@@ -154,6 +154,28 @@ void NCurveFile::ChangeExpr()
}
+//! Set fit range restrictions.
+
+void NCurveFile::ChangeRange()
+{
+ string expr = sask( "Fit range restriction ?" );
+
+ NOlm::IterateC fiter;
+ POlc fc;
+ while( (fc=fiter()) ) {
+ fc->range_expr = expr;
+ fc->lDoc.push_back( "cr " + expr );
+ if( expr=="" ) {
+ fc->range_T = PTree();
+ continue;
+ }
+ PTree T;
+ user_xaxparse( expr.c_str(), &T );
+ fc->range_T = T;
+ }
+}
+
+
//! Display parameter list for set of online curves.
void NCurveFile::ShowPar(void)
@@ -386,11 +408,11 @@ void NCurveFile::SetProperties( string which )
NOlm::IterateC fiter;
POlc fc;
while ( (fc=fiter()) ) {
- if (which=="cwc")
+ if (which=="wc")
fc->weighing = COlc::_LIN;
- else if (which=="cwl")
+ else if (which=="wl")
fc->weighing = COlc::_LOG;
- else if (which=="cwv")
+ else if (which=="wv")
fc->weighing = COlc::_ERR;
else {
printf("! unknown property");
@@ -448,7 +470,8 @@ void globalEvaluate( const double* par, int m_dat, const void *data,
if ( fc->weighing==COlc::_ERR && s->dy.size()!=m_dat )
throw string( "missing error bars for weighing" );
- for ( int i=0; i<m_dat; i++) {
+ for ( uint i=0; i<m_dat; i++) {
+
if( fit[i]==INFINITY ) // TEMPORARY UNTIL exceptions can be
// thrown everywhere
throw string( "function evaluation return INFINITY" );
@@ -569,6 +592,27 @@ void NCurveFile::Fit( bool _allow_slow_conv )
if ( fc->ProtectedSpecs.size() )
cout << "some spectra are protected\n";
fc->lDoc.push_back( "fitted to file " + strg(fc->kd) + " " + fd->name );
+
+ if( fc->range_T ) {
+ fd = POld( fd->new_old() );
+ for ( uint j=0; j<fc->nJ(); j++ ) {
+ PSpec ein = fd->VS(j);
+ PSpec eout = PSpec( new CSpec );
+ eout->copy_z_base( ein );
+ vector<double> range( ein->size() );
+ fc->range_T->tree_vec_val( &range, 0, fc->kd, j );
+ bool with_dy = ein->dy.size();
+ for ( uint i=0; i<ein->size(); i++ ) {
+ if ( range[i] ) {
+ if( with_dy )
+ eout->push_xyd( ein->x[i], ein->y[i], ein->dy[i] );
+ else
+ eout->push_xy( ein->x[i], ein->y[i] );
+ }
+ }
+ fd->V.push_back( eout );
+ }
+ }
data.fc = fc;
data.fd = fd;
@@ -580,15 +624,19 @@ void NCurveFile::Fit( bool _allow_slow_conv )
control.stepbound = NFitTune::Factor;
control.maxcall = NFitTune::nCall;
- for (uint j=0; j<fc->nJ(); j++) {
+ for ( uint j=0; j<fc->nJ(); j++ ) {
if ( fc->ProtectedSpecs.contains( j ) )
continue;
data.j = j;
if( fiter.size()>1 )
- printf("%3d", data.k);
- printf("%3d", j);
+ printf( "%3d", data.k );
+ printf( "%3d", j );
D = fd->VS(j);
C = fc->VC(j);
+ if ( !D->size() ){
+ printf( " empty range\n" );
+ continue;
+ }
// determine number of free parameters
uint npfree = 0;
diff --git a/pub/src/curve.h b/pub/src/curve.h
index 8fdc04620e867147fe3ca01ce26b6ea6fecabb77..76a769e76bd193f6cb63ddcc187908866d592a50 100644
--- a/pub/src/curve.h
+++ b/pub/src/curve.h
@@ -6,6 +6,7 @@ namespace NCurveFile {
void CreateFitcurve();
void CreateFreecurve();
void ChangeExpr();
+ void ChangeRange();
void SetFileReference( const string& which );
void SetConvTuningPars( string which );
diff --git a/pub/src/dualplot.cpp b/pub/src/dualplot.cpp
index 9be26f62aaa1a2d2672d624a0a447879e5611965..bdb209ef0c1bbc8d98fbd3d8870b83c847a21e8d 100644
--- a/pub/src/dualplot.cpp
+++ b/pub/src/dualplot.cpp
@@ -22,7 +22,8 @@ using boost::format;
//! Constructor for plot window: setup for gnuplot and postscript.
CPlot::CPlot( uint _iPlot, bool _logx, bool _logy ) :
- iPlot( _iPlot ), X( _logx ), Y( _logy ), maxpoints(12000)
+ iPlot( _iPlot ), X( _logx ), Y( _logy ),
+ maxpoints(12000), with_errors(true)
{
// Start gnuplot. Use input redirection so that gnuplot receives
// commands from a gp_fifo which is created here.
@@ -101,6 +102,12 @@ void CPlot::setAux( string cmd )
Y.force = true;
else if ( cmd=="gyf-" )
Y.force = false;
+ else if ( cmd=="ge" )
+ with_errors = !with_errors;
+ else if ( cmd=="ge+" )
+ with_errors = true;
+ else if ( cmd=="ge-" )
+ with_errors = false;
else
throw "unknown command " + cmd;
}
@@ -193,7 +200,7 @@ void CPlot::addSpec( bool as_line, int style_no,
if ( as_line )
gp_fnames += str( format( " with lines lt 1 lc rgb \"#%6x\"" )
% color[ style_no % mColor ] );
- else if( dyp.size() )
+ else if( with_errors && dyp.size() )
gp_fnames += " with errorbars";
FILE *gp_fd;
if (!(gp_fd = fopen(gp_fnam.c_str(), "w")))
@@ -204,7 +211,7 @@ void CPlot::addSpec( bool as_line, int style_no,
throw "Plot::Line: x["+strg(i)+"]="+strg(xp[i])+" out of range";
if( yp[i]<Y.inf || yp[i]>Y.sup )
throw "Plot::Line: y["+strg(i)+"]="+strg(yp[i])+" out of range";
- if( dyp.size() )
+ if( with_errors && dyp.size() )
fprintf(gp_fd, "%16.8g %16.8g %16.8g\n", xp[i], yp[i], dyp[i] );
else
fprintf(gp_fd, "%16.8g %16.8g\n", xp[i], yp[i]);
@@ -342,8 +349,8 @@ void CPlot::gp_write( string in )
//! Format ticks and tacks for postscript file.
-void CPlot::ps_ticktack(uint ntack, double *tack, int ntpt, double *ticklim,
- CAxis *A)
+void CPlot::ps_ticktack(
+ uint ntack, double *tack, int ntpt, double *ticklim, CAxis *A )
{
uint i;
ps_accu.push_back( "[\n" );
diff --git a/pub/src/dualplot.h b/pub/src/dualplot.h
index 327f7262f844c66959edc4219c13b710af82484d..0dc426e5ff79dd1d6f0dfa5a4c1961dc026eb4ad 100644
--- a/pub/src/dualplot.h
+++ b/pub/src/dualplot.h
@@ -6,6 +6,7 @@ class CPlot {
uint iPlot;
CAxis X, Y;
uint maxpoints;
+ bool with_errors;
CPlot( uint _iPlot, bool _logx, bool _logy );
diff --git a/pub/src/file_out.cpp b/pub/src/file_out.cpp
index 382352cd07c91d45a53e2d8b9118fff7d7ef9787..ccee7e19c958b77f1ac0c79be62a0fcaa16c6d39 100644
--- a/pub/src/file_out.cpp
+++ b/pub/src/file_out.cpp
@@ -117,9 +117,17 @@ void NFileOut::Save_y08( FILE *file, POlo f )
PSpec s = fd->VS(j);
for ( uint i=0; i<f->nZ(); i++ )
fprintf( file, " z%u: %18.10g\n", i, s->z[i] );
- fprintf( file, " xy: |2 # %u entries\n", s->size() );
- for( uint i=0; i<s->size(); i++ )
- fprintf( file, " %20.15g %20.15g\n", s->x[i], s->y[i] );
+ if( s->dy.size() ) {
+ fprintf( file, " xyd: |2 # %u entries\n", s->size() );
+ for( uint i=0; i<s->size(); i++ )
+ fprintf( file, " %20.15g %20.15g %20.15g\n",
+ s->x[i], s->y[i], s->dy[i] );
+ } else {
+ fprintf( file, " xy: |2 # %u entries\n", s->size() );
+ for( uint i=0; i<s->size(); i++ )
+ fprintf( file, " %20.15g %20.15g\n",
+ s->x[i], s->y[i] );
+ }
} else {
PCurve s = fc->VC(j);
for ( uint i=0; i<f->nZ(); i++ )
diff --git a/pub/src/frida2.cpp b/pub/src/frida2.cpp
index a79b4b06dc341f4e596f73775bef754a1b2176d6..331f54f876c31b182e30370671e94da08e179a19 100644
--- a/pub/src/frida2.cpp
+++ b/pub/src/frida2.cpp
@@ -145,6 +145,7 @@ int main()
" cm modify function\n"
" cd set data file to fit\n"
" cv set file to convolute with (cv-: no convolution)\n"
+ " cr set fit range restriction\n"
" ci extract parameter, calculate integral, ...\n"
" cp print parameters\n"
"Fit to data:\n"
@@ -185,6 +186,9 @@ int main()
} else if (cmd == "cd" || cmd == "cv" || cmd == "cv-" ) {
NCurveFile::SetFileReference( cmd.substr(1) );
+ } else if (cmd == "cr" ) {
+ NCurveFile::ChangeRange();
+
} else if (cmd == "ci") {
NCurveFile::IntegralProperty();
} else if (cmd == "cp") {
@@ -328,21 +332,22 @@ int main()
" gnp set maximum number of points\n"
;
- } else if (cmd == "gx") {
+ } else if ( cmd == "gx" ) {
string range = sask( "Set x range" );
Plots[iPlot]->X.set_from_string( range );
- } else if (cmd == "gy") {
+ } else if ( cmd == "gy" ) {
string range = sask( "Set y range" );
Plots[iPlot]->Y.set_from_string( range );
- } else if (cmd == "ga") {
+ } else if ( cmd == "ga" ) {
Plots[iPlot]->X.setAuto();
Plots[iPlot]->Y.setAuto();
- } else if (cmd == "gxa") {
+ } else if ( cmd == "gxa" ) {
Plots[iPlot]->X.setAuto();
- } else if (cmd == "gya") {
+ } else if ( cmd == "gya" ) {
Plots[iPlot]->Y.setAuto();
- } else if (cmd.substr(0,2) == "gx" ||
- cmd.substr(0,2) == "gy" ) {
+ } else if ( cmd.substr(0,2) == "gx" ||
+ cmd.substr(0,2) == "gy" ||
+ cmd.substr(0,2) == "ge" ) {
Plots[iPlot]->setAux( cmd );
} else if ( cmd=="gnp" ) {
Plots[iPlot]->maxpoints =
@@ -356,7 +361,7 @@ int main()
else
ps_dict = "";
Plots[iPlot]->writePostscript( ps_outdir, ps_head, ps_dict );
- } else if (cmd == "gw") {
+ } else if ( cmd == "gw" ) {
for( uint i=0; i<nPlot; ++i ){
printf( " %c %1i %s\n", i==iPlot ? '*' : ' ', i,
Plots[i]->info().c_str() );
diff --git a/pub/src/manip.cpp b/pub/src/manip.cpp
index d57227a3e40ca3abace19f6d846341ad0946535d..e446265787ba44ddc5fc71ecd00ff0823331624d 100644
--- a/pub/src/manip.cpp
+++ b/pub/src/manip.cpp
@@ -39,6 +39,7 @@ namespace NManip {
//***************************************************************************//
//! Restrict forthcoming operations
+
void NManip::ProtectSpecs( bool on )
{
NOlm::SelAssert();
diff --git a/pub/src/olf.h b/pub/src/olf.h
index 258a0189ab8302668a254a9e2c5e5e81b318c5a6..6a04e1f4bb66c8c6f760d431a0f9d2144a0c0499 100644
--- a/pub/src/olf.h
+++ b/pub/src/olf.h
@@ -11,6 +11,8 @@ typedef boost::shared_ptr<class COlo> POlo;
typedef boost::shared_ptr<class COld> POld;
typedef boost::shared_ptr<class COlc> POlc;
+typedef boost::shared_ptr<class CTree> PTree;
+
//! Online object: virtual base class for COld, COlc.
@@ -79,7 +81,7 @@ class COlc : public COlo {
vector<CCoord> PCo;
// online state records:
- boost::shared_ptr<class CTree> T;
+ PTree T;
vector<CList> Fixed;
enum TWgt { _LIN, _LOG, _ERR } weighing;
uint kd; // internal number of data file to be fitted
@@ -88,7 +90,10 @@ class COlc : public COlo {
double cv_epsabs;
double cv_epsrel;
- COlc() : weighing( _ERR ), kconv(-1) { ; };
+ string range_expr;
+ PTree range_T;
+
+ COlc() : weighing( _ERR ), kconv(-1), range_expr("") { ; };
// trivially duplicated functions:
PCurve VC( uint j ) const;