#!/bin/csh # Written in 1999 by Jim Phillips, Theoretical Biophysics Group, # Beckman Institute, University of Illinois at Urbana-Champaign. if ( $#argv < 1 ) then echo "Usage: $0 [zero] [diff] [ [ ...] [vs ]] " exit -1 endif set titles = `awk '/^ETITLE:/ { print; exit }' $argv[$#argv]` echo $titles if ( $#argv < 2 ) then echo "Usage: $0 [zero] [diff] [ [ ...] [vs ]] " exit -1 endif if ( $1 == zero ) then set zero = 1 shift argv else set zero = 0 endif if ( $1 == diff ) then set zero = 1 set diff = 1 shift argv else set diff = 0 endif set ytargets = while ( $#argv > 1 && $1 != vs ) @ pos = 1 foreach t ( $titles ) if ( $t == $1 ) set ytargets = ( $ytargets $pos ) @ pos++ end shift argv end if ( $#ytargets == 0 ) exit -1 set xtarget = 2 if ( $1 == vs ) then shift argv @ pos = 1 foreach t ( $titles ) if ( $t == $1 ) set xtarget = $pos @ pos++ end shift argv endif set file = $argv[1] set ytitle = foreach y ( $ytargets ) set ytitle = ( $ytitle $titles[$y] ) end set xtitle = $titles[$xtarget] echo Plotting $ytitle vs $xtitle set title = $file set open = '{' set close = '}' set dollar = '$' if ( $zero ) then set subtitle = "change from initial value" set prog = "NR == 1 $open" foreach y ( $ytargets ) set prog = "$prog z$y = $dollar$y;" end set prog = "$prog $close" set prog = "$prog $open print $dollar$xtarget" foreach y ( $ytargets ) set prog = "$prog, $dollar$y - z$y" end set prog = "$prog $close" if ( $diff ) then set subtitle = "running backward difference" set prog = "$prog $open" foreach y ( $ytargets ) set prog = "$prog z$y = $dollar$y;" end set prog = "$prog $close" endif else set subtitle = "" set prog = "$open print $dollar$xtarget" foreach y ( $ytargets ) set prog = "$prog, $dollar$y" end set prog = "$prog $close" endif set quote = '"' set p_title = "TITLE $quote$title$quote" set p_subtitle = "SUBTITLE $quote$subtitle$quote" set p_xaxis = "XAXIS LABEL $quote$xtitle$quote" set tmpfile = /tmp/namdplot.$USER.$$.tmp set l_cmd = ( 0 0 0 0 0 0 0 0 0 0 ) @ pos = 1 foreach t ( $ytitle ) @ i = $pos - 1 set l_cmd[$pos] = "LEGEND STRING $i $quote$t$quote" @ pos++ end while ( $pos <= 10 ) set l_cmd[$pos] = "LEGEND STRING $i $quote$t$quote" @ pos++ end grep '^ENERGY:' $argv | grep -v '[a-z]' | awk "$prog" > $tmpfile xmgr \ -pexec "LEGEND on" \ -pexec "$l_cmd[1]" \ -pexec "$l_cmd[2]" \ -pexec "$l_cmd[3]" \ -pexec "$l_cmd[4]" \ -pexec "$l_cmd[5]" \ -pexec "$l_cmd[6]" \ -pexec "$l_cmd[7]" \ -pexec "$l_cmd[8]" \ -pexec "$l_cmd[9]" \ -pexec "$l_cmd[10]" \ -pexec "$p_title" -pexec "$p_subtitle" -pexec "$p_xaxis" \ -pexec "XAXIS TICKLABEL FORMAT DECIMAL" -pexec "XAXIS TICKLABEL PREC 0" \ -pexec "YAXIS TICKLABEL FORMAT DECIMAL" -pexec "YAXIS TICKLABEL PREC 0" \ -autoscale xy -remove -nxy $tmpfile &