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Added development branch with beginning of constraints/functions optio

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salman 2009-09-10 16:10:24 +00:00
parent cfbceebcbe
commit 254c79436e
4 changed files with 10066 additions and 0 deletions
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1326
src/external/MuSRFitGUI/devel/MSR.pm vendored Executable file
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src/external/MuSRFitGUI/devel/MuSRFit.pl vendored Executable file
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src/external/MuSRFitGUI/devel/MuSRFit.ui vendored Executable file
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src/external/MuSRFitGUI/devel/MuSRFit.ui.h vendored Executable file
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/****************************************************************************
** ui.h extension file, included from the uic-generated form implementation.
**
** If you want to add, delete, or rename functions or slots, use
** Qt Designer to update this file, preserving your code.
**
** You should not define a constructor or destructor in this file.
** Instead, write your code in functions called init() and destroy().
** These will automatically be called by the form's constructor and
** destructor.
*****************************************************************************/
# This file is part of MuSRFitGUI.
#
# MuSRFitGUI is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# MuSRFitGUI is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with MuSRFitGUI. If not, see <http://www.gnu.org/licenses/>.
#
# Copyright 2009 by Zaher Salman and the LEM Group.
# <zaher.salman@psi.ch>
void Form1::fileOpen()
{
my $file=Qt::FileDialog::getOpenFileName(
".",
"MSR Files (*.msr *.mlog)",
this,
"open file dialog",
"Choose a MSR file");
print "Selected file: $file\n";
# TODO: Possibly decipher the MSR file and setup the GUI accordingly
# Find run numbers, beamlines etc.
# Get theory block and understand it
# Get parameters list and update table
}
void Form1::fileSave()
{
my %All=CreateAllInput();
my $FILENAME=$All{"FILENAME"}.".msr";
my $file=Qt::FileDialog::getSaveFileName(
"$FILENAME",
"MSR Files (*.msr *.mlog)",
this,
"save file dialog",
"Choose a filename to save under");
# If the user gave a filename the copy to it
if ($file ne "") {
# TODO: check if the extension is correct, or add it.
if (-e $FILENAME) {
my $cmd="cp $FILENAME $file";
my $pid=system($cmd);
} else {
if ($file ne "") {
my $Warning = "Warning: No MSR file found yet!";
my $WarningWindow = Qt::MessageBox::information( this, "Warning",$Warning);
}
}
}
}
void Form1::fileChangeDir()
{
my $newdir=Qt::FileDialog::getExistingDirectory(
"",
this,
"get existing directory",
"Choose a directory",
1);
chdir ("$newdir");
}
void Form1::filePrint()
{
}
void Form1::fileExit()
{
Qt::Application::exit( 0 );
}
void Form1::editUndo()
{
}
void Form1::editRedo()
{
}
void Form1::editCut()
{
}
void Form1::editCopy()
{
}
void Form1::editPaste()
{
}
void Form1::helpIndex()
{
}
void Form1::helpContents()
{
}
void Form1::helpAbout()
{
my $AboutText="
This is a GUI that uses the musrfit binary, developed by Andreas Suter,
to fit muSR spectra.
MuSRFitGUI is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
MuSRFitGUI is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with MuSRFitGUI. If not, see <http://www.gnu.org/licenses/>.
Copyright 2009 by Zaher Salman and the LEM Group.
<zaher.salman\@psi.ch>
";
my $AboutWindow = Qt::MessageBox::information( this, "About MuSRFit GUI",$AboutText);
}
void MuSRFitform::CreateAllInput()
{
# TODO: Need to deliver shared parameters also
my %All=();
# From RUNS Tab
$All{"TITLE"}= TITLE->text;
$All{"FILENAME"}= FILENAME->text;
$All{"RunNumbers"} = RunNumbers->text;
$All{"RunFiles"} = RunFiles->text;
$All{"BeamLine"} = BeamLine->currentText;
$All{"RUNSType"} = ManualFile->isOn();
$All{"YEAR"} =YEAR->currentText;
$All{"Tis"} = Tis->text;
$All{"Tfs"} = Tfs->text;
$All{"BINS"} = BINS->text;
$All{"FitAsyType"} = FitAsyType->currentText;
$All{"LRBF"} = LRBF->text;
RunSelectionToggle();
my @RUNS = ();
if ($All{"RUNSType"} ) {
@RUNS = split( /,/, $All{"RunFiles"});
} else {
$All{"RunNumbers"} =~ s/[\ \.\~\/\&\*\[\;\>\<\^\$\(\)\`\|\]\'\@]/,/g;
@RUNS = split( /,/, $All{"RunNumbers"} );
}
my @Hists = split(/,/, $All{"LRBF"} );
# From Fourier Tab
$All{"FUNITS"}= FUnits->currentText;
$All{"FAPODIZATION"}= FApodization->currentText;
$All{"FPLOT"}= FPlot->currentText;
# Get values of t0 and Bg/Data bins if given
my $NHist = 1;
foreach my $Hist (@Hists) {
foreach ("t0","Bg1","Bg2","Data1","Data2") {
my $Name = "$_$NHist";
$All{$Name}=child($Name)->text;
# TODO: If empty fill with defaults
if ($All{$Name} eq "") {
$All{$Name}=MSR::T0BgData($_,$Hist,$All{"BeamLine"});
child($Name)->setText($All{$Name});
}
}
$NHist++;
}
# Construct fittypes that can be understood by MSR.pm
my %FTs=(0,"Exponential",
1,"Gaussian",
2,"Stretch",
3,"ExponentialCos",
4,"GaussianCos",
5,"StretchCos",
6,"LDKTLF",
7,"GDKTLF",
8,"Background",
9,"LLFExp",
10,"GLFExp",
11,"LLFSExp",
12,"GLFSExp",
13,"Meissner",
14,"None"
);
my $FT1=FitType1->currentItem;
my $FT2=FitType2->currentItem;
my $FT3=FitType3->currentItem;
$All{"FitType1"} = $FTs{$FT1};
$All{"FitType2"} = $FTs{$FT2};
$All{"FitType3"} = $FTs{$FT3};
my @FitTypes =();
my $FitType="";
foreach $FitType ($All{"FitType1"}, $All{"FitType2"}, $All{"FitType3"}) {
if ( $FitType ne "None" ) {
push( @FitTypes, $FitType );
}
}
# Also theory block and paramets list
my ($Full_T_Block,$Paramcomp_ref)= MSR::CreateTheory(@FitTypes);
$All{"Full_T_Block"}=$Full_T_Block;
$All{"Paramcomp_ref"}=$Paramcomp_ref;
my @Paramcomp = @$Paramcomp_ref;
# Read initial values of paramets from tabel
my $erradd = "d";
my $minadd = "_min";
my $maxadd = "_max";
my $NRows = InitParamTable->numRows();
my $Header=InitParamTable->verticalHeader();
if ($NRows > 0) {
for (my $i=0;$i<$NRows;$i++) {
# Take label of row, i.e. name of parameter
my $Param=$Header->label($i);
# Then take the value, error, max and min (as numbers)
$All{"$Param"}=1.0*InitParamTable->text($i,0);
$All{"$erradd$Param"}=1.0*InitParamTable->text($i,1);
$All{"$Param$minadd"}=1.0*InitParamTable->text($i,2);
$All{"$Param$maxadd"}=1.0*InitParamTable->text($i,3);
}
}
# Shared settings are detected here
my $Shared = 0;
my $PCount =0;
my $Component=1;
foreach $FitType (@FitTypes) {
my $Parameters=$Paramcomp[$Component-1];
my @Params = split( /\s+/, $Parameters );
if ( $Component == 1 && $All{"FitAsyType"} eq "Asymmetry" ) {
unshift( @Params, "Alpha" );
}
elsif ( $Component == 1 && $All{"FitAsyType"} eq "SingleHist" ) {
unshift( @Params, ( "N0", "NBg" ) );
}
# This is the counter for parameters of this component
my $NP=1;
$Shared = 0;
# Change state/label of parameters
foreach my $Param (@Params) {
my $Param_ORG = $Param;
# TODO: I need to take care of single hist fits here
if ( $All{"FitAsyType"} eq "SingleHist" ) {
$Param=$Param.$Hists[0];
}
if ( $#FitTypes != 0 && ( $Param ne "Alpha" && $Param ne "N0" && $Param ne "NBg" ) ){
$Param = join( "", $Param, "_", $Component);
}
# Is there any point of sharing, multiple runs?
if ( $#RUNS == 0 && $All{"FitAsyType"} eq "Asymmetry") {
$Shared = 1;
}
elsif ( $#RUNS == 0 && $#Hists == 0 && $All{"FitAsyType"} eq "SingleHist" ) {
$Shared = 1;
} else {
# Check if shared or not, construct name of checkbox, find its handle and then
# check if it is checked
my $ChkName="ShParam_".$Component."_".$NP;
my $ChkBx = child($ChkName);
$Shared = $ChkBx->isChecked();
}
$All{"Sh_$Param"}=$Shared;
$NP++;
}
#Loop on parameters
$Component++;
}
# Loop on components
# Done with shared parameters detecting
# Construct a default filename if empty
if ( $All{"FILENAME"} eq "" && !$All{"RUNSType"}) {
$All{"FILENAME"}=$RUNS[0]."_".$All{"BeamLine"}."_".$All{"YEAR"};
} else {
$All{"FILENAME"}="TMP";
}
if ( $All{"go"} eq "" ) {
$All{"go"}="PLOT";
}
# Get minimization process
my $Min = Minimization->selectedId();
if ($Min==0) {
$All{"Minimization"}= "MINIMIZE";
$All{"go"}="MIGRAD";
}
elsif ($Min==1) {
$All{"Minimization"}= "MIGRAD";
$All{"go"}="MIGRAD";
}
elsif ($Min==2) {
$All{"Minimization"}= "SIMPLEX";
$All{"go"}="SIMPLAEX";
}
# Get Error calculation process
my $Err = ErrorCalc->selectedId();
if ($Err==0) {
$All{"ErrorCalc"}= "HESSE";
# $All{"go"}="MIGRAD";
}
elsif ($Err==1) {
$All{"ErrorCalc"}= "MINOS";
$All{"go"}="MINOS";
}
# Return Hash with all important values
return %All;
}
void MuSRFitform::CallMSRCreate()
{
use MSR;
my %All=CreateAllInput();
if ($All{"RunNumbers"} ne "" || $All{"RunFiles"} ne "") {
if ( $All{"FitAsyType"} eq "Asymmetry" ) {
my ($Full_T_Block,$Paramcomp_ref)= MSR::CreateMSR(\%All);
}
elsif ( $All{"FitAsyType"} eq "SingleHist" ) {
my ($Full_T_Block,$Paramcomp_ref)= MSR::CreateMSRSingleHist(\%All);
}
UpdateMSRFileInitTable();
}
}
void MuSRFitform::UpdateMSRFileInitTable()
{
my %All=CreateAllInput();
my $FILENAME=$All{"FILENAME"};
open (MSRF,q{<},"$FILENAME.msr" );
my @lines = <MSRF>;
close(IFILE);
textMSROutput->setText("");
foreach my $line (@lines) {
textMSROutput->append("$line");
}
my $FPBlock_ref=MSR::ExtractParamBlk(@lines);
my @FPBloc = @$FPBlock_ref;
my $PCount=0;
foreach my $line (@FPBloc) {
$PCount++;
my @Param=split(/\s+/,$line);
# Depending on home many elements in @Param determine what they mean
# 0th element is empty (always)
# 1st element is the order (always)
# 2nd element is the name (always)
# 3rd element is the value (always)
# 4th element can be taken as step/error (always)
# 5th element can be
# if it is last element or there are two more = positive error, check $#Param=5/7
# if there is only one more = minimum, check $#Param=6
# To summarize, check the value of $#Param
my $value=1.0*$Param[3];
my $error = 1.0*$Param[4];
my $minvalue=0.0;
my $maxvalue=0.0;
if ($#Param == 4) {
$minvalue=0.0;
$maxvalue=0.0;
}
elsif ($#Param == 6) {
$minvalue=1.0*$Param[5];
$maxvalue=1.0*$Param[6];
}
elsif ($#Param == 5 || $#Param == 7) {
$minvalue=1.0*$Param[6];
$maxvalue=1.0*$Param[7];
}
# Now update the initialization tabel
InitParamTable->setText($PCount-1,0,$value);
InitParamTable->setText($PCount-1,1,$error);
InitParamTable->setText($PCount-1,2,$minvalue);
InitParamTable->setText($PCount-1,3,$maxvalue);
# Set bg color to mark different runs
}
return;
}
void MuSRFitform::ActivateT0Hists()
{
my %All=CreateAllInput();
my @Hists = split(/,/, $All{"LRBF"} );
my $HistBox = "";
for (my $iHist=1; $iHist<=4; $iHist++) {
$HistBox="groupHist$iHist";
my $HistBoxHandle = child($HistBox);
if ($iHist<=$#Hists+1) {
# Activate this histogram box
$HistBoxHandle->setHidden(0);
$HistBoxHandle->setEnabled(1);
$HistBoxHandle->setTitle("Hist # $Hists[$iHist-1]");
} else {
# Deactivate this histogram box
$HistBoxHandle->setHidden(1);
$HistBoxHandle->setEnabled(0);
}
}
# TODO: Set default values
}
void MuSRFitform::ActivateShComp()
{
my %All=CreateAllInput();
my @RUNS = split( /,/, $All{"RunNumbers"} );
# Hide all sharing components
SharingComp1->setHidden(1);
SharingComp2->setHidden(1);
SharingComp3->setHidden(1);
SharingComp1->setEnabled(0);
SharingComp2->setEnabled(0);
SharingComp3->setEnabled(0);
my @FitTypes =();
foreach my $FitType ($All{"FitType1"}, $All{"FitType2"}, $All{"FitType3"}) {
if ( $FitType ne "None" ) {
push( @FitTypes, $FitType );
}
}
# Get number of parameters to determine the size of the table
my ($Full_T_Block,$Paramcomp_ref)= MSR::CreateTheory(@FitTypes);
# For now the line below does not work. Why?
# my $Paramcomp_ref=$All{"Paramcomp_ref"};
my @Paramcomp = @$Paramcomp_ref;
my $Full_T_Block= $All{"Full_T_Block"};
my $Component=1;
CParamsCombo->clear();
TheoryBlock->setText($Full_T_Block);
foreach my $FitType (@FitTypes) {
my $Parameters=$Paramcomp[$Component-1];
my @Params = split( /\s+/, $Parameters );
if ( $Component == 1 && $All{"FitAsyType"} eq "Asymmetry" ) {
unshift( @Params, "Alpha" );
}
elsif ( $Component == 1 && $All{"FitAsyType"} eq "SingleHist" ) {
unshift( @Params, ( "N0", "NBg" ) );
}
# Make the component appear first (only if we have multiple runs)
my $ShCompG="SharingComp".$Component;
my $ShCG = child($ShCompG);
if ($#RUNS>0) {
$ShCG->setHidden(0);
$ShCG->setEnabled(1);
}
my $CompShLabel = "Comp".$Component."ShLabel";
my $CompShL = child($CompShLabel);
$CompShL->setText($All{"FitType$Component"});
# Change state/label of parameters
# Also add it to the constraints drop down menu
for (my $i=1; $i<=9;$i++) {
my $ParamChkBx="ShParam_".$Component."_".$i;
my $ChkBx = child($ParamChkBx);
my $CParam = $Params[$i-1]." ".$Component;
if ($Params[$i-1] ne "") {
$ChkBx->setHidden(0);
$ChkBx->setEnabled(1);
$ChkBx ->setText($Params[$i-1]);
CParamsCombo->insertItem($CParam,-1);
} else {
$ChkBx->setHidden(1);
}
}
$Component++;
}
}
void MuSRFitform::InitializeTab()
{
my %All=CreateAllInput();
InitParamTable->setLeftMargin(100);
my $NRows = InitParamTable->numRows();
# Remove any rows in table
if ($NRows > 0) {
for (my $i=0;$i<$NRows;$i++) {
# TODO: Better remove the row rather than hide it.
InitParamTable->hideRow($i);
}
}
my %PTable=MSR::PrepParamTable(\%All);
# Setup the table with the right size
my $NParam=scalar keys( %PTable );
if ($NParam>$NRows) {
InitParamTable->setNumRows($NParam);
}
# Fill the table with labels and values of parametr
for (my $PCount=0;$PCount<$NParam;$PCount++) {
my ($Param,$value,$error,$minvalue,$maxvalue,$RUN) = split(/,/,$PTable{$PCount});
# If you use this then reading the parameters from the table is a problem
# You need to extract the correct parameter name from the row label
# InitParamTable->verticalHeader()->setLabel( $PCount,"$RUN: $Param");
InitParamTable->verticalHeader()->setLabel( $PCount,"$Param");
InitParamTable->showRow($PCount);
InitParamTable->setText($PCount,0,$value);
InitParamTable->setText($PCount,1,$error);
InitParamTable->setText($PCount,2,$minvalue);
InitParamTable->setText($PCount,3,$maxvalue);
}
}
void MuSRFitform::TabChanged()
{
# TODO: First check if there are some runs given, otherwise disbale
# TODO: Check if the MSR file exists and decide whether to use it or not
my %All=CreateAllInput();
my $SlectedTab = musrfit_tabs->currentPageIndex;
# Check if the option for checking for existing files is selected
my $FileExistCheck= FileExistCheck->isOn();
my $FILENAME=$All{"FILENAME"}.".msr";
if ($All{"RunNumbers"} ne "" && $SlectedTab==4 && $FileExistCheck==1) {
if (-e $FILENAME) {
# Warning: MSR file exists
my $Warning = "Warning: MSR file $FILENAME Already exists!\nIf you continue it will overwriten.";
my $WarningWindow = Qt::MessageBox::information( this, "Warning",$Warning);
# my $Answer= Qt::MessageBox::warning( this, "Warning",$Warning, "&No", "&Yes", undef, 1,1);
# $Answer =1,0 for yes and no
# print "Answer=$Answer\n";
}
}
# First make sure we have sharing initialized
ActivateShComp();
InitializeTab();
UpdateMSRFileInitTable();
# And also setup T0 and Bg bins
ActivateT0Hists();
}
void MuSRFitform::GoFit()
{
my %All=CreateAllInput();
CallMSRCreate();
# musrfit_tabs->setCurrentTab(1);
my $FILENAME=$All{"FILENAME"}.".msr";
if (-e $FILENAME) {
my $cmd="musrfit -t $FILENAME";
my $pid = open(FTO,"$cmd 2>&1 |");
while (<FTO>) {
FitTextOutput->append("$_");
# print "line= ".$_;
}
close(FTO);
$cmd="musrview $FILENAME &";
$pid = system($cmd);
} else {
FitTextOutput->append("Cannot find MSR file!");
}
FitTextOutput->append("-----------------------------------------------------------------------------------------------------------------------------");
# update MSR File tab and initialization table
UpdateMSRFileInitTable();
return;
}
void MuSRFitform::GoPlot()
{
my %All=CreateAllInput();
CallMSRCreate();
my $FILENAME=$All{"FILENAME"}.".msr";
if (-e $FILENAME) {
my $cmd="musrview $FILENAME &";
my $pid = system($cmd);
} else {
FitTextOutput->append("Cannot find MSR file!");
FitTextOutput->append("-----------------------------------------------------------------------------------------------------------------------------");
}
return;
}
void MuSRFitform::ShowMuSRT0()
{
my %All=CreateAllInput();
# Create MSR file and then run musrt0
CallMSRCreate();
my $FILENAME=$All{"FILENAME"}.".msr";
if (-e $FILENAME) {
my $cmd="musrt0 $FILENAME &";
my $pid = system($cmd);
} else {
print STDERR "Cannot find MSR file!\n";
}
return;
}
void MuSRFitform::T0Update()
{
my %All = CreateAllInput();
my @Hists = split(/,/, $All{"LRBF"} );
# Get values of t0 and Bg/Data bins if given
my $NHist = 1;
foreach my $Hist (@Hists) {
foreach ("t0","Bg1","Bg2","Data1","Data2") {
my $Name = "$_$NHist";
my $tmp=MSR::T0BgData($_,$Hist,$All{"BeamLine"});
child($Name)->setText($tmp);
}
$NHist++
}
}
void MuSRFitform::RunSelectionToggle()
{
my $ManualFile= ManualFile->isOn();
if ($ManualFile) {
# Manual RUN selection
RUNSMan->setEnabled(1);
RUNSMan->setHidden(0);
RunNumbers->setText("");
RUNSAuto->setEnabled(0);
RUNSAuto->setHidden(1);
} else {
# Auto RUN selection
RUNSMan->setEnabled(0);
RUNSMan->setHidden(1);
RunFiles->setText("");
RUNSAuto->setEnabled(1);
RUNSAuto->setHidden(0);
}
}
void MuSRFitform::fileBrowse()
{
my $files_ref=Qt::FileDialog::getOpenFileNames(
"Data files (*.root *.bin)",
"./",
this,
"open files dialog",
"Select one or more files to fit");
my @files = @$files_ref;
my $RunFiles=join(",",@files);
RunFiles->setText($RunFiles);
}