From f85961b8f9a52295c2d9140ee0099c992dfc04ed Mon Sep 17 00:00:00 2001
From: Thomas White <taw@physics.org>
Date: Tue, 16 Aug 2016 11:26:15 +0200
Subject: scripts/create-mtz: Update to handle unknown number of lines after
 end marker

---
 scripts/create-mtz | 13 ++++++++-----
 1 file changed, 8 insertions(+), 5 deletions(-)

(limited to 'scripts')

diff --git a/scripts/create-mtz b/scripts/create-mtz
index 8a81cbad..556a87e7 100755
--- a/scripts/create-mtz
+++ b/scripts/create-mtz
@@ -5,15 +5,14 @@ echo "You need to edit this script first, to set the space group and cell parame
 exit 1
 
 OUTFILE=`echo $1 | sed -e 's/\.hkl$/.mtz/'`
-TMPHKL=`echo $1 | sed -e 's/\.hkl$/.temp.hkl/'`
 
 echo " Input: $1"
 echo "Output: $OUTFILE"
-if [ -e $TMPHKL -o -e $OUTFILE ]; then
+if [ -e create-mtz.temp.hkl -o -e $OUTFILE ]; then
 	echo "   I'm about to write to the following files, but one or more"
 	echo "   of them already exist:"
 	echo "   " $OUTFILE
-	echo "   " $TMPHKL
+	echo "    create-mtz.temp.hkl"
 	echo "   To confirm that you want to continue, which will DESTROY the"
 	echo "   current contents of these files, type 'y' and press enter."
 	read conf
@@ -22,13 +21,17 @@ if [ -e $TMPHKL -o -e $OUTFILE ]; then
 		exit 1
 	else
 		echo "Proceeding"
+		rm -f create-mtz.temp.hkl
 	fi
 fi
 
-grep -v "End of reflections" $1 > $TMPHKL
+ex -c '/End of reflections/
+.,$d
+w create-mtz.temp.hkl
+q!' $1
 
 echo "Running 'f2mtz'..."
-f2mtz HKLIN $TMPHKL HKLOUT $OUTFILE > out.html << EOF
+f2mtz HKLIN create-mtz.temp.hkl HKLOUT $OUTFILE > out.html << EOF
 TITLE Reflections from CrystFEL
 NAME PROJECT wibble CRYSTAL wibble DATASET wibble
 CELL 100 100 100  90  90 90
-- 
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