74 lines
2.2 KiB
Plaintext
74 lines
2.2 KiB
Plaintext
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#! /bin/bash -f
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clear
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echo " "
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echo " "
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echo "****************************************************"
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echo "* *"
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echo "* CLUSTER GEOMETRY ANALYSIS CODE *"
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echo "* *"
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echo "****************************************************"
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echo " "
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echo " "
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#
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time -p ./clus_geom <<Fin >& error.dat
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Test.xyz # Input cluster file
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1 # Tetrahedra detection
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1 # Octahedra detection
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1 # Cube detection
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1 # Hollow molecules detection
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1 # Nanotube detection
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1 # Regular polygons detection
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1 # Iregular polygons detection
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1 # Symmetries detection
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Fin
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#
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# Checking for errors in the execution
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#
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cat error.dat | sed -e '1,35d' \
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-e '/real/,/ /d' > error.txt
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#
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# Checking for a blend of dialog
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#
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DIAL=`which dialog | cut -d: -f2 | grep -c 'dialog'`
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XDIA=`which Xdialog | cut -d: -f2 | grep -c 'Xdialog'`
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KDIA=`which kdialog | cut -d: -f2 | grep -c 'kdialog'`
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ZENI=`which zenity | cut -d: -f2 | grep -c 'zenity'`
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#
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if [ "$ZENI" -ne "0" ]; then
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DIALOG=zenity
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else
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if [ "$XDIA" -ne "0" ]; then
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DIALOG=Xdialog
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else
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if [ "$KDIA" -ne "0" ]; then
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DIALOG=kdialog
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else
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if [ "$DIAL" -ne "0" ]; then
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DIALOG=dialog
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else
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DIALOG=none
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fi
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fi
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fi
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fi
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#
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FILE=`ls -at | grep .lis | awk '{print $1}'`
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tail --lines=10 $FILE | grep '<<<<' | sed 's/<</ /g' | sed 's/>>/ /g' >> run.txt
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cat run.txt >> error.txt
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ERR=`cat error.txt`
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NLINE=`cat error.txt | wc -l`
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#
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if [ $NLINE != 0 ]; then
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if [ "$DIALOG" = "zenity" ]; then
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zenity --width 400 --height 180 \
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--title "MsSpec-1.1 runtime error" \
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--info --text "The code has stopped with the message : \n \n \n $ERR" \
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--timeout 5
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fi
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fi
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#
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rm -f error.dat error.txt run.txt
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#
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exit
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