LMU/musrsim
LMU/musrsim
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The chemical formula from the GUI (qt3) will be added to the _Seq_Results.dat file header and used by the root macro when plotting the fractions.

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This commit is contained in:
salman 2015-09-03 12:32:46 +02:00
parent cf1611c6e5
commit a97c72f59d
2 changed files with 38 additions and 11 deletions
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45
trimsp/src/TrimSPGUI/TrimSPGUI.pl
View File

@ -2158,7 +2158,7 @@ sub removeRowFromTable
} }
sub ProjSmartDefaults sub ProjSmartDefaults
{ {
my %All=(); my %All=();
# Get typeof projectile # Get typeof projectile
@ -2475,6 +2475,17 @@ sub StartSequenceOne
} }
# Create a subdirectory where all input/output files are saved
if (-d $All{"Path"}) {
# Directory exists, do nothing
} else {
$cmd="mkdir ".$All{"Path"};
system($cmd);
}
# Change work directory accordingly
chdir ($All{"Path"});
# Cleanup from old files # Cleanup from old files
if (-e "ausgabe1.inp") { if (-e "ausgabe1.inp") {
system("rm -f ausgabe*"); system("rm -f ausgabe*");
@ -2594,8 +2605,25 @@ sub StartSequenceOne
# $cmd="mv -f $FILENAME.* ".$All{"Path"}; # $cmd="mv -f $FILENAME.* ".$All{"Path"};
# system($cmd); # system($cmd);
} }
# An easy way to keep track of chemical formula is to replace impL_i by the corresponding chemical formula of layer i
open (INF,q{<}, "fort.33" );
my @lines = <INF>;
close(INF);
my $all_lines = join("",@lines);
for (my $i=1;$i<=$All{"NL"};$i++){
my $LComp = "L".$i."Comp";
my $chem_formula = $All{"$LComp"};
my $place_holder = "impL".$i;
$all_lines =~ s/$place_holder/$chem_formula/g;
}
my $seq_file = $All{"FNPre"}."_Seq_Results.dat";
open (SEQF,q{>}, "$seq_file" );
print SEQF $all_lines;
close(SEQF);
# Move the fort.33 file into the subdirectory and change its name # Move the fort.33 file into the subdirectory and change its name
$cmd="rm -f eingabe1.inp; mv -f fort.33 ".$All{"Path"}."/".$All{"FNPre"}."_Seq_Results.dat"; $cmd="rm -f eingabe1.inp; rm -f fort.33";
system($cmd); system($cmd);
$Progress=100; $Progress=100;
Progress->setProgress($Progress); Progress->setProgress($Progress);
@ -2661,7 +2689,7 @@ sub PlotProfiles
# "Warning:\nClose the plot using the menu FILE -> Quit ROOT\nDO NOT CLOSE USING X."); # "Warning:\nClose the plot using the menu FILE -> Quit ROOT\nDO NOT CLOSE USING X.");
my $TrimPath = $ENV{'PERLLIB'}; my $TrimPath = $ENV{'PERLLIB'};
# Now that we have the file list send it to root macro for plotting. # Now that we have the file list send it to root macro for plotting.
my $cmd='root -n -l "'.$TrimPath.'/plotRge.C(\"'.$filenames.'\")"&'; my $cmd='root -n -l "'.$TrimPath.'/../plotRge.C(\"'.$filenames.'\")"&';
# my $pid = open(FTO,"$cmd"); # my $pid = open(FTO,"$cmd");
# my $pid = open(FTO,"$cmd 2>&1 |"); # my $pid = open(FTO,"$cmd 2>&1 |");
@ -2688,10 +2716,12 @@ sub PlotFraction
if ($file ne "" ) { if ($file ne "" ) {
my $TrimPath = $ENV{'PERLLIB'}; my $TrimPath = $ENV{'PERLLIB'};
# Now that we have the file name send it to root macro for plotting. # Now that we have the file name send it to root macro for plotting.
my $cmd='root -n -l "'.$TrimPath.'/plotFrc.C(\"'.$file.'\")"&'; my $cmd='root -n -l "'.$TrimPath.'/../plotFrc.C(\"'.$file.'\")"&';
my $pid=system($cmd); my $pid=system($cmd);
} }
my $pid=system($cmd);
}
} }
@ -2702,8 +2732,6 @@ sub OpenAboutWindow
my $HelpText="TrimSPGUI is free software: you can redistribute it and/or modify my $HelpText="TrimSPGUI is free software: you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by it under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
TrimSPGUI is distributed in the hope that it will be useful, TrimSPGUI is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
@ -2943,7 +2971,6 @@ sub GUIPath
return $FileBrowser ; return $FileBrowser ;
} }
sub TrimBin sub TrimBin
@ -2965,8 +2992,8 @@ sub TrimBin
TRIMBIN->setText($file); TRIMBIN->setText($file);
return $file; return $file;
} }
sub findDensity sub findDensity
{ {

4
trimsp/src/TrimSPGUI/TrimSPGUI.ui.h
View File

@ -684,7 +684,7 @@ void TrimSPGUI::PlotProfiles()
# "Warning:\nClose the plot using the menu FILE -> Quit ROOT\nDO NOT CLOSE USING X."); # "Warning:\nClose the plot using the menu FILE -> Quit ROOT\nDO NOT CLOSE USING X.");
my $TrimPath = $ENV{'PERLLIB'}; my $TrimPath = $ENV{'PERLLIB'};
# Now that we have the file list send it to root macro for plotting. # Now that we have the file list send it to root macro for plotting.
my $cmd='root -n -l "'.$TrimPath.'/plotRge.C(\"'.$filenames.'\")"&'; my $cmd='root -n -l "'.$TrimPath.'/../plotRge.C(\"'.$filenames.'\")"&';
# my $pid = open(FTO,"$cmd"); # my $pid = open(FTO,"$cmd");
# my $pid = open(FTO,"$cmd 2>&1 |"); # my $pid = open(FTO,"$cmd 2>&1 |");
@ -710,7 +710,7 @@ void TrimSPGUI::PlotFraction()
if ($file ne "" ) { if ($file ne "" ) {
my $TrimPath = $ENV{'PERLLIB'}; my $TrimPath = $ENV{'PERLLIB'};
# Now that we have the file name send it to root macro for plotting. # Now that we have the file name send it to root macro for plotting.
my $cmd='root -n -l "'.$TrimPath.'/plotFrc.C(\"'.$file.'\")"&'; my $cmd='root -n -l "'.$TrimPath.'/../plotFrc.C(\"'.$file.'\")"&';
my $pid=system($cmd); my $pid=system($cmd);
} }