LMU/musrfit
LMU/musrfit
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Implemented the secret option of msr2data and an additional warning for the case a fit did not converge

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Bastian M. Wojek 2009-04-10 20:39:58 +00:00
parent ef87d3983e
commit 39e4499b27
1 changed files with 25 additions and 5 deletions
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28
src/external/scripts/msr2data vendored
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@ -49,8 +49,9 @@ You can suppress the reading of the summary files with the option "nosummary".
If you want to generate a file without the header information just run the script with the option "noheader". If you want to generate a file without the header information just run the script with the option "noheader".
If you additionally want to fit some data using musrfit specify the option "fit-TEMPLATERUN#". If you additionally want to fit some data using musrfit specify the option "fit-TEMPLATERUN#".
In this case either a mlog-outputfile or a msr-inputfile have to be present for the specified template run. In this case either a msr-file or a mlog-file have to be present for the specified template run.
The subsequent inputfiles will be created. The subsequent input files will be created.
If you add a "!" to the fit option, e.g. "fit-199!" the specified template will serve as template for ALL runs, not only for the first one.
Example 4: Example 4:
msr2data 200 220 _tf_h13 -oABC.db fit-199 msr2data 200 220 _tf_h13 -oABC.db fit-199
@ -217,6 +218,12 @@ else
if [ "$TEMP" != "" ]; then # runs should be fitted using musrfit if [ "$TEMP" != "" ]; then # runs should be fitted using musrfit
SETBATCH=0 # check if the TEMPLATE file should ALWAYS be the template or only for the first run
if [ "${TEMP:(-1)}" == "!" ]; then
SETBATCH=1
TEMP=${TEMP%"!"}
fi
# Check for musrfit on the PATH and if found continue with searching the fit-template # Check for musrfit on the PATH and if found continue with searching the fit-template
PATHTOMUSRFIT=$(echo `which musrfit`) PATHTOMUSRFIT=$(echo `which musrfit`)
if [ "$PATHTOMUSRFIT" == "" ]; then if [ "$PATHTOMUSRFIT" == "" ]; then
@ -283,7 +290,14 @@ else
musrfit $COUNT$EXTENSION.msr $MUSRFITPARAM # the fit musrfit $COUNT$EXTENSION.msr $MUSRFITPARAM # the fit
if [ "$q" -ne "$LASTRUN" ]; then # create the next musrfit input file if not the last specified run was fitted already if [ "$q" -ne "$LASTRUN" ]; then # create the next musrfit input file if not the last specified run was fitted already
awk -v count=$COUNT -v nextcount=$NEXTCOUNT -v nextinput=$NEXTINPUT '{ if [ "$SETBATCH" -eq 1 ]; then # check if the TEMPLATE should be ALWAYS used or only the first time and use the according file
COUNTX=$TEMP
TEMPLATEX=$TEMPLATE
else
COUNTX=$COUNT
TEMPLATEX=$COUNT$EXTENSION.$OUTPUTEXT
fi
awk -v count=$COUNTX -v nextcount=$NEXTCOUNT -v nextinput=$NEXTINPUT '{
if(NR==1) print nextcount > nextinput if(NR==1) print nextcount > nextinput
else if($1 == "RUN") { else if($1 == "RUN") {
if (substr(count,1,1) != "_"){ count = sprintf("_%04u", count); nextcount = sprintf("_%04u", nextcount);} if (substr(count,1,1) != "_"){ count = sprintf("_%04u", count); nextcount = sprintf("_%04u", nextcount);}
@ -297,7 +311,7 @@ else
print $0 >> nextinput print $0 >> nextinput
} }
else print $0 >> nextinput else print $0 >> nextinput
}' $COUNT$EXTENSION.$OUTPUTEXT }' $TEMPLATEX
fi fi
fi fi
@ -713,6 +727,12 @@ else
} }
} }
} }
if($2 ~ /FIT/ && $3 ~ /DID/ && $4 ~ /NOT/ && $5 ~ /CONVERGE/ && X==2){
print " "
print ">> msr2data: ATTENTION At least one of the performed fits has not been converged!"
print ">> msr2data: The data of " ARGV[1] " has not been included in " outfile "!"
print " "
}
}' $COUNT$EXTENSION.$OUTPUTEXT }' $COUNT$EXTENSION.$OUTPUTEXT
done done
fi fi