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Corrected C error in stopicru and other tweeks.

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This commit is contained in:
salman
2009-09-14 13:26:57 +00:00
parent aa61b3eee6
commit 4c8fd5730e
3 changed files with 44 additions and 28 deletions
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36
trimsp/TrimSPGUI/TrimSPGUI.pl
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@ -1,6 +1,6 @@
# Form implementation generated from reading ui file 'TrimSPGUItabs.ui'
#
# Created: Wed Sep 9 15:14:26 2009
# Created: Mon Sep 14 15:05:11 2009
# by: The PerlQt User Interface Compiler (puic)
#
# WARNING! All changes made in this file will be lost!
@ -1631,7 +1631,7 @@ sub CreateInpFile
{
# use lib '$ENV{HOME}/Projects/TrimSPGUI/Chem';
push @INC, "$ENV{HOME}/Projects/TrimSPGUI";
# push @INC, "$ENV{HOME}/Projects/TrimSPGUI";
use Chem;
# The proper way I think is not to have scan sequences implimented here
# but rather call this multiple times to generate the scan
@ -1640,7 +1640,7 @@ sub CreateInpFile
# These will be stored in keys L1/2/3/4/5/6/7d, E, SigE and NProj, respectively.
# Chemical formulas will be parsed on the fly for each layer. However, we will check if
# all the layers have inputs for coposition, thickness and density. If not fail and crash :)
# all the layers have inputs for composition, thickness and density. If not fail and crash :)
# Values of Z,A as well as other needed parameters are obtained from Chem.pm.
@ -1828,13 +1828,6 @@ sub StartSequenceOne
my %All = CollectValues();
my @SValues=();
my $cmd="";
# Create a subdirectory where all input/output files are saved
if (-d $All{"Path"}) {
# Directory exists, do nothing
} else {
$cmd="mkdir ".$All{"Path"};
system($cmd);
}
# Cleanup from old files
if (-e "ausgabe1.inp") {
@ -1890,11 +1883,14 @@ sub StartSequenceOne
system($cmd);
$Progress=$Progress+90/$#SValues;
Progress->setProgress($Progress);
Progress->update();
foreach ("err","out","rge") {
system("mv -f ausgabe1.$_ $FILENAME.$_");
}
$cmd="mv -f $FILENAME.* ".$All{"Path"};
system($cmd);
# Not needed if work path is changed
# $cmd="mv -f $FILENAME.* ".$All{"Path"};
# system($cmd);
}
} else {
# For a single run
@ -1917,8 +1913,9 @@ sub StartSequenceOne
}
$Progress=90;
Progress->setProgress($Progress);
$cmd="mv -f $FILENAME.* ".$All{"Path"};
system($cmd);
# If we change work directory this is not needed
# $cmd="mv -f $FILENAME.* ".$All{"Path"};
# system($cmd);
}
# 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";
@ -1935,6 +1932,17 @@ sub DirectoryBrowse
my $FileBrowser = Qt::FileDialog::getExistingDirectory("./",this,"get existing directory","Choose a directory",1);
if ($FileBrowser eq "") {$FileBrowser="./";}
Path->setText($FileBrowser);
# Create a subdirectory where all input/output files are saved
my $cmd="";
if (-d $FileBrowser) {
# Directory exists, do nothing
} else {
$cmd="mkdir $FileBrowser";
system($cmd);
}
# Change work directory accordingly
chdir ("$FileBrowser");
}