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Starting to fix single histogram fits

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This commit is contained in:
salman 2010-08-24 18:17:43 +00:00
parent 30862e21d0
commit dd2263b6a0
7 changed files with 99 additions and 68 deletions
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72
src/external/MuSRFitGUI/MSR.pm vendored
View File

@ -99,7 +99,7 @@ sub CreateMSR {
# should be checked in GUI
# for 2 simple asymmetry fit
# for 4 two run blocks with different geometric parameters:
# Alpha, N0, NBg, Phi, Asy
# Alpha, No, NBg, Phi, Asy
my @TiVals = split( /,/, $All{"Tis"} );
my @TfVals = split( /,/, $All{"Tfs"} );
@ -451,9 +451,9 @@ STATISTIC --- 0000-00-00 00:00:00
return($Full_T_Block,\@Paramcomp);
}
########################
##########################################################################
# CreateMSRSingleHist
########################
##########################################################################
sub CreateMSRSingleHist {
my %All = %{$_[0]};
@ -533,7 +533,7 @@ FUNCTIONS
if ( $#RUNS == 0 && $#Hists == 0) {
my $shcount = 1;
} else {
if ( $All{"Sh_N0"} == 1 ) {
if ( $All{"Sh_No"} == 1 ) {
my $shcount = 1;
} elsif ( $All{"Sh_NBg"} == 1 ) {
my $shcount = 1;
@ -569,8 +569,8 @@ FUNCTIONS
# How many non-shared parameter for this RUN?
my $nonsh = 0;
# Prepeare N0/NBg line for the RUN block. Empty initially.
my $N0Bg_Line = $EMPTY;
# Prepeare No/NBg line for the RUN block. Empty initially.
my $NoBg_Line = $EMPTY;
# Loop over all components in the fit
foreach my $FitType (@FitTypes) {
@ -578,15 +578,15 @@ FUNCTIONS
my $Parameters = $Paramcomp[ $component - 1 ];
my @Params = split( /\s+/, $Parameters );
# For the first component we need N0 and NBg for SingleHist fits
if ( $component == 1 && $All{"FitAsyType"} eq "SingleHist" ) {
unshift( @Params, ( "N0", "NBg" ) );
# For the first component we need No and NBg for SingleHist fits
if ( $component == 1 ) {
unshift( @Params, ( "No", "NBg" ) );
}
foreach $Param (@Params) {
$Param_ORG = $Param;
$Param=$Param.$Hist;
if ( ($#FitTypes != 0) && ( $Param ne "N0" && $Param ne "NBg" ) ) {
if ( ($#FitTypes != 0) && ( $Param ne "No" && $Param ne "NBg" ) ) {
$Param = join( $EMPTY, $Param, "_", "$component" );
}
@ -599,35 +599,35 @@ FUNCTIONS
$Shared = $All{"Sh_$Param"};
}
# N0 and NBg Lines
# No and NBg Lines
#
# If you encounter N0 in the parameters list make sure
# If you encounter No in the parameters list make sure
# to fill this line for the RUN block.
if ( $Param_ORG eq "N0" ) {
if ( $Param_ORG eq "No" ) {
if ($Shared) {
$N0Bg_Line = "norm 1\n";
$NoBg_Line = "norm 1\n";
}
else {
$N0Bg_Line = "norm $PCount\n";
$NoBg_Line = "norm $PCount\n";
}
# Optional - add lifetime correction for SingleHist fits
if ( $All{"ltc"} eq "y" ) {
$N0Bg_Line = $N0Bg_Line . "lifetimecorrection\n";
$NoBg_Line = $NoBg_Line . "lifetimecorrection\n";
}
}
# If you encounter NBg in the parameters list make sure
# to fill this line for the RUN block.
elsif ( $Param_ORG eq "NBg" ) {
if ($Shared) {
$N0Bg_Line = $N0Bg_Line . "backgr.fit 2\n";
$NoBg_Line = $NoBg_Line . "backgr.fit 2\n";
}
else {
$N0Bg_Line = $N0Bg_Line . "backgr.fit $PCount\n";
$NoBg_Line = $NoBg_Line . "backgr.fit $PCount\n";
}
}
# End of N0 and NBg Lines
# End of No and NBg Lines
####################################################################################################
# Start preparing the parameters block
@ -641,7 +641,7 @@ FUNCTIONS
} else {
# Parameter is not shared, use map unless it is a single RUN fit
# Skip adding to map line in these cases
if ( $Param ne "N0" && $Param ne "NBg" && ($#RUNS != 0 || $#Hist != 0)) {
if ( $Param ne "No" && $Param ne "NBg" && ($#RUNS != 0 || $#Hist != 0)) {
++$nonsh;
$Full_T_Block =~ s/$Param_ORG/map$nonsh/;
$MAP_Line = join( ' ', $MAP_Line, $PCount );
@ -657,7 +657,7 @@ FUNCTIONS
# For each defined range we need a block in the RUN-Block
# Also for each histogram in Single Histograms fits
# Also for Imaginaryand and Real for RRF fits
# Also for Imaginary and and Real for RRF fits
$RUN = $RUNS[ $iRun - 1 ];
@ -694,7 +694,7 @@ FUNCTIONS
$Tmp_Hist_Line = $Hist_Lines;
$Tmp_Hist_Line =~ s/HIST/$Hist/g;
$Single_RUN = $Single_RUN
. "$RUN_Line\n$Type_Line\n$N0Bg_Line$Tmp_Hist_Line\n$Data_Line\n$MAP_Line\n$FRANGE_Line\n$PAC_Line\n\n";
. "$RUN_Line\n$Type_Line\n$NoBg_Line$Tmp_Hist_Line\n$Data_Line\n$MAP_Line\n$FRANGE_Line\n$PAC_Line\n\n";
# Now add the appropriate values of fit range and packing
my $Range_Min = 8;
@ -851,8 +851,8 @@ sub CreateTheory {
"generExpo", "Lam Bet",
"simpleGss", "Sgm",
"statGssKT", "Sgm",
"statGssKTLF", "Frq Sgm",
"dynGssKTLF", "Frq Sgm Lam",
"statGssKTLF", "Frqg Sgm",
"dynGssKTLF", "Frql Sgm Lam",
"statExpKT", "Lam",
"statExpKTLF", "Frq Aa",
"dynExpKTLF", "Frq Aa Lam",
@ -1019,6 +1019,18 @@ sub CreateTheory {
$Parameters = join( $SPACE, $Parameters, $THEORY{'statGssKTLF'} );
}
# Lorentzian or Gaussian KT LF multiplied by stretched exponential
elsif ( $FitType eq "MolMag" ) {
$T_Block = $T_Block . "\n" . "generExpo " . $THEORY{'generExpo'};
$Parameters = join( $SPACE, $Parameters, $THEORY{'generExpo'} );
$T_Block =
$T_Block . "\n" . "statExpKTLF " . $THEORY{'statExpKTLF'};
$Parameters = join( $SPACE, $Parameters, $THEORY{'statExpKTLF'} );
$T_Block =
$T_Block . "\n" . "statGssKTLF " . $THEORY{'statGssKTLF'};
$Parameters = join( $SPACE, $Parameters, $THEORY{'statGssKTLF'} );
}
# Meissner state model
elsif ( $FitType eq "Meissner" ) {
$T_Block = $T_Block . "\n" . "simpleGss " . $THEORY{'simpleGss'};
@ -1145,8 +1157,8 @@ sub PrepParamTable {
"Asy_min", "0", "Asy_max", "0",
"Alpha", "1.0", "dAlpha", "0.01",
"Alpha_min", "0", "Alpha_max", "0",
"N0", "300.0", "dN0", "0.01",
"N0_min", "0", "N0_max", "0",
"No", "300.0", "dNo", "0.01",
"No_min", "0", "No_max", "0",
"NBg", "30.0", "dNBg", "0.01",
"NBg_min", "0", "NBg_max", "0",
"Lam", "1.0", "dLam", "0.01",
@ -1281,7 +1293,7 @@ sub PrepParamTable {
my $Parameters=$Paramcomp[$Component-1];
my @Params = split( /\s+/, $Parameters );
if ( $Component == 1 ) {
unshift( @Params, ( "N0", "NBg" ) );
unshift( @Params, ( "No", "NBg" ) );
}
# This is the counter for parameters of this component
@ -1293,7 +1305,7 @@ sub PrepParamTable {
# If multiple histograms (sum or difference) take the first histogram only
($Hist,$tmp) = split(/ /,$Hist);
$Param=$Param.$Hist;
if ( $#FitTypes != 0 && ( $Param_ORG ne "N0" && $Param_ORG ne "NBg" ) ){
if ( $#FitTypes != 0 && ( $Param_ORG ne "No" && $Param_ORG ne "NBg" ) ){
$Param = join( $EMPTY, $Param, "_", "$Component" );
}
@ -1443,7 +1455,7 @@ sub ExportParams {
my $Parameters=$Paramcomp[$Component-1];
my @Params = split( /\s+/, $Parameters );
if ( $Component == 1 ) {
unshift( @Params, ( "N0", "NBg" ) );
unshift( @Params, ( "No", "NBg" ) );
}
# This is the counter for parameters of this component
@ -1453,7 +1465,7 @@ sub ExportParams {
foreach my $Param (@Params) {
my $Param_ORG = $Param;
$Param=$Param.$Hist;
if ( $#FitTypes != 0 && ( $Param_ORG ne "N0" && $Param_ORG ne "NBg" ) ){
if ( $#FitTypes != 0 && ( $Param_ORG ne "No" && $Param_ORG ne "NBg" ) ){
$Param = join( $EMPTY, $Param, "_", "$Component" );
}

4
src/external/MuSRFitGUI/MuSRFit vendored
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@ -2,6 +2,6 @@
# Copyright 2009 by Zaher Salman and the LEM Group.
export MUSRBIN=$ROOTSYS/bin/
export PERLLIB=$HOME/analysis/musrfit/src/external/MuSRFitGUI
perl $HOME/analysis/musrfit/src/external/MuSRFitGUI/MuSRFit.pl
export PERLLIB=$HOME/LEM/musrfit/src/external/MuSRFitGUI
perl $HOME/LEM/musrfit/src/external/MuSRFitGUI/MuSRFit.pl

31
src/external/MuSRFitGUI/MuSRFit.pl vendored
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@ -1,6 +1,6 @@
# Form implementation generated from reading ui file 'MuSRFit.ui'
#
# Created: Wed Jun 9 23:34:32 2010
# Created: Wed Aug 18 12:51:07 2010
# by: The PerlQt User Interface Compiler (puic)
#
# WARNING! All changes made in this file will be lost!
@ -1704,7 +1704,7 @@ sub NEW
setName("MuSRFitform" );
}
setSizePolicy(Qt::SizePolicy(3, 3, 1, 1, this->sizePolicy()->hasHeightForWidth()) );
setMinimumSize(Qt::Size(23, 270) );
setMinimumSize(Qt::Size(21, 275) );
setIcon($image0 );
setCentralWidget(Qt::Widget(this, "qt_central_widget"));
@ -3114,9 +3114,10 @@ sub languageChange
FitType2->insertItem( trUtf8("Gaussian Kubo-Toyabe LF x Exp") );
FitType2->insertItem( trUtf8("Lorentzian Kubo-Toyabe LF x Str Exp") );
FitType2->insertItem( trUtf8("Gaussian Kubo-Toyabe LF x Str Exp") );
FitType2->insertItem( trUtf8("MolMag") );
FitType2->insertItem( trUtf8("Meissner State Model") );
FitType2->insertItem( trUtf8("None") );
FitType2->setCurrentItem( int(14) );
FitType2->setCurrentItem( int(15) );
TfsLabel->setText( trUtf8("Final Time") );
FitType1->clear();
FitType1->insertItem( trUtf8("Exponential") );
@ -3132,6 +3133,7 @@ sub languageChange
FitType1->insertItem( trUtf8("Gaussian Kubo-Toyabe LF x Exp") );
FitType1->insertItem( trUtf8("Lorentzian Kubo-Toyabe LF x Str Exp") );
FitType1->insertItem( trUtf8("Gaussian Kubo-Toyabe LF x Str Exp") );
FitType1->insertItem( trUtf8("MolMag") );
FitType1->insertItem( trUtf8("Meissner State Model") );
FitType1->insertItem( trUtf8("None") );
BINS->setText( trUtf8("100") );
@ -3155,9 +3157,10 @@ sub languageChange
FitType3->insertItem( trUtf8("Gaussian Kubo-Toyabe LF x Exp") );
FitType3->insertItem( trUtf8("Lorentzian Kubo-Toyabe LF x Str Exp") );
FitType3->insertItem( trUtf8("Gaussian Kubo-Toyabe LF x Str Exp") );
FitType3->insertItem( trUtf8("MolMag") );
FitType3->insertItem( trUtf8("Meissner State Model") );
FitType3->insertItem( trUtf8("None") );
FitType3->setCurrentItem( int(14) );
FitType3->setCurrentItem( int(15) );
Comp2Label->setText( trUtf8("Second Component") );
FitAsyTypeLabel->setText( trUtf8("Fit type") );
FitAsyType->clear();
@ -3696,8 +3699,9 @@ sub CreateAllInput
10,"GLFExp",
11,"LLFSExp",
12,"GLFSExp",
13,"Meissner",
14,"None"
13,"MolMag",
14,"Meissner",
15,"None"
);
my $FT1=FitType1->currentItem;
@ -3737,7 +3741,7 @@ sub CreateAllInput
unshift( @Params, "Alpha" );
}
elsif ( $Component == 1 && $All{"FitAsyType"} eq "SingleHist" ) {
unshift( @Params, ( "N0", "NBg" ) );
unshift( @Params, ( "No", "NBg" ) );
}
# This is the counter for parameters of this component
@ -3750,7 +3754,7 @@ sub CreateAllInput
if ( $All{"FitAsyType"} eq "SingleHist" ) {
$Param=$Param.$Hists[0];
}
if ( $#FitTypes != 0 && ( $Param ne "Alpha" && $Param ne "N0" && $Param ne "NBg" ) ){
if ( $#FitTypes != 0 && ( $Param ne "Alpha" && $Param ne "No" && $Param ne "NBg" ) ){
$Param = join( "", $Param, "_", $Component);
}
@ -3768,6 +3772,7 @@ sub CreateAllInput
$Shared = $ChkBx->isChecked();
}
$All{"Sh_$Param"}=$Shared;
print "Sh_$Param=$Shared\n";
$NP++;
}
#Loop on parameters
@ -3975,7 +3980,7 @@ sub ActivateShComp
unshift( @Params, "Alpha" );
}
elsif ( $Component == 1 && $All{"FitAsyType"} eq "SingleHist" ) {
unshift( @Params, ( "N0", "NBg" ) );
unshift( @Params, ( "No", "NBg" ) );
}
@ -4261,24 +4266,26 @@ sub InitializeFunctions
my $ParCount=0;
CParamsCombo->clear();
# Possibly use the parameters block to axtract names for the dropdown menu
# this makes sense if we can use fun in map line. Check!
my $Component=1;
foreach my $FitType (@FitTypes) {
my $Parameters=$Paramcomp[$Component-1];
my @Params = split( /\s+/, $Parameters );
# Alpha, N0 and NBg are counted in the parameters
# Alpha, No and NBg are counted in the parameters
if ( $Component == 1 && $All{"FitAsyType"} eq "Asymmetry" ) {
unshift( @Params, "Alpha" );
}
elsif ( $Component == 1 && $All{"FitAsyType"} eq "SingleHist" ) {
unshift( @Params, ( "N0", "NBg" ) );
unshift( @Params, ( "No", "NBg" ) );
}
# Add list to the constraints drop down menu
for (my $i=1; $i<=9;$i++) {
my $CParam = $Params[$i-1]."_".$Component;
if ($Params[$i-1] ne "" ) {
if ($Params[$i-1] ne "Alpha" && $Params[$i-1] ne "N0" && $Params[$i-1] ne "NBg") {
if ($Params[$i-1] ne "Alpha" && $Params[$i-1] ne "No" && $Params[$i-1] ne "NBg") {
CParamsCombo->insertItem($CParam,-1);
$Full_T_Block=~ s/\b$Params[$i-1]\b/$CParam/;
}

23
src/external/MuSRFitGUI/MuSRFit.ui vendored
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@ -22,8 +22,8 @@
</property>
<property name="minimumSize">
<size>
<width>23</width>
<height>270</height>
<width>21</width>
<height>275</height>
</size>
</property>
<property name="caption">
@ -456,6 +456,11 @@
<string>Gaussian Kubo-Toyabe LF x Str Exp</string>
</property>
</item>
<item>
<property name="text">
<string>MolMag</string>
</property>
</item>
<item>
<property name="text">
<string>Meissner State Model</string>
@ -478,7 +483,7 @@
</sizepolicy>
</property>
<property name="currentItem">
<number>14</number>
<number>15</number>
</property>
</widget>
<widget class="QLabel" row="2" column="1">
@ -566,6 +571,11 @@
<string>Gaussian Kubo-Toyabe LF x Str Exp</string>
</property>
</item>
<item>
<property name="text">
<string>MolMag</string>
</property>
</item>
<item>
<property name="text">
<string>Meissner State Model</string>
@ -1271,6 +1281,11 @@
<string>Gaussian Kubo-Toyabe LF x Str Exp</string>
</property>
</item>
<item>
<property name="text">
<string>MolMag</string>
</property>
</item>
<item>
<property name="text">
<string>Meissner State Model</string>
@ -1293,7 +1308,7 @@
</sizepolicy>
</property>
<property name="currentItem">
<number>14</number>
<number>15</number>
</property>
</widget>
<widget class="QLabel" row="0" column="1">

19
src/external/MuSRFitGUI/MuSRFit.ui.h vendored
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@ -320,8 +320,9 @@ void MuSRFitform::CreateAllInput()
10,"GLFExp",
11,"LLFSExp",
12,"GLFSExp",
13,"Meissner",
14,"None"
13,"MolMag",
14,"Meissner",
15,"None"
);
my $FT1=FitType1->currentItem;
@ -361,7 +362,7 @@ void MuSRFitform::CreateAllInput()
unshift( @Params, "Alpha" );
}
elsif ( $Component == 1 && $All{"FitAsyType"} eq "SingleHist" ) {
unshift( @Params, ( "N0", "NBg" ) );
unshift( @Params, ( "No", "NBg" ) );
}
# This is the counter for parameters of this component
@ -374,7 +375,7 @@ void MuSRFitform::CreateAllInput()
if ( $All{"FitAsyType"} eq "SingleHist" ) {
$Param=$Param.$Hists[0];
}
if ( $#FitTypes != 0 && ( $Param ne "Alpha" && $Param ne "N0" && $Param ne "NBg" ) ){
if ( $#FitTypes != 0 && ( $Param ne "Alpha" && $Param ne "No" && $Param ne "NBg" ) ){
$Param = join( "", $Param, "_", $Component);
}
@ -591,7 +592,7 @@ void MuSRFitform::ActivateShComp()
unshift( @Params, "Alpha" );
}
elsif ( $Component == 1 && $All{"FitAsyType"} eq "SingleHist" ) {
unshift( @Params, ( "N0", "NBg" ) );
unshift( @Params, ( "No", "NBg" ) );
}
@ -861,24 +862,26 @@ void MuSRFitform::InitializeFunctions()
my $ParCount=0;
CParamsCombo->clear();
# Possibly use the parameters block to axtract names for the dropdown menu
# this makes sense if we can use fun in map line. Check!
my $Component=1;
foreach my $FitType (@FitTypes) {
my $Parameters=$Paramcomp[$Component-1];
my @Params = split( /\s+/, $Parameters );
# Alpha, N0 and NBg are counted in the parameters
# Alpha, No and NBg are counted in the parameters
if ( $Component == 1 && $All{"FitAsyType"} eq "Asymmetry" ) {
unshift( @Params, "Alpha" );
}
elsif ( $Component == 1 && $All{"FitAsyType"} eq "SingleHist" ) {
unshift( @Params, ( "N0", "NBg" ) );
unshift( @Params, ( "No", "NBg" ) );
}
# Add list to the constraints drop down menu
for (my $i=1; $i<=9;$i++) {
my $CParam = $Params[$i-1]."_".$Component;
if ($Params[$i-1] ne "" ) {
if ($Params[$i-1] ne "Alpha" && $Params[$i-1] ne "N0" && $Params[$i-1] ne "NBg") {
if ($Params[$i-1] ne "Alpha" && $Params[$i-1] ne "No" && $Params[$i-1] ne "NBg") {
CParamsCombo->insertItem($CParam,-1);
$Full_T_Block=~ s/\b$Params[$i-1]\b/$CParam/;
}

16
src/external/MuSRFitGUI/devel/MuSRFit.ui vendored
View File

@ -4734,7 +4734,7 @@
<action name="ManualFile"/>
<action name="optionsFourier"/>
<action name="optionsT0"/>
<action name="optionsCustomise"/>
<action name="optionsConfigure"/>
</item>
<item text="&amp;Help" name="helpMenu">
<action name="helpContentsAction"/>
@ -5243,13 +5243,13 @@
</action>
<action>
<property name="name">
<cstring>optionsCustomise</cstring>
<cstring>optionsConfigure</cstring>
</property>
<property name="text">
<string>Customise</string>
<string>Configure</string>
</property>
<property name="menuText">
<string>Customise</string>
<string>Configure</string>
</property>
</action>
</actions>
@ -5493,12 +5493,6 @@
<receiver>MuSRFitform</receiver>
<slot>AppendToFunctions()</slot>
</connection>
<connection>
<sender>optionsCustomise</sender>
<signal>activated()</signal>
<receiver>MuSRFitform</receiver>
<slot>optionCustromize()</slot>
</connection>
</connections>
<tabstops>
<tabstop>musrfit_tabs</tabstop>
@ -5607,7 +5601,7 @@
<slot>fileBrowse()</slot>
<slot>AppendToFunctions()</slot>
<slot>InitializeFunctions()</slot>
<slot>optionCustromize()</slot>
<slot>optionConfigure()</slot>
</slots>
<layoutdefaults spacing="6" margin="11"/>
</UI>

2
src/external/MuSRFitGUI/devel/MuSRFit.ui.h vendored
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@ -900,7 +900,7 @@ void MuSRFitform::InitializeFunctions()
}
void MuSRFitform::optionCustromize()
void MuSRFitform::optionConfigure()
{
use Customize;