"Remove" cell-please

1 files changed, 5 insertions, 129 deletions

diff --git a/scripts/cell-please b/scripts/cell-please
index bb8b70ce..53b237df 100755
--- a/scripts/cell-please
+++ b/scripts/cell-please
@@ -1,130 +1,6 @@
-#!/usr/bin/perl -w
+#!/bin/sh
 
-use strict;
-use Fcntl;
-use POSIX;
-use IO::Handle;
-
-open(FH, $ARGV[0]);
-
-open(GP, "| gnuplot");
-autoflush GP 1;
-print(GP "set term postscript enhanced font \"Helvetica,20\"\n");
-print(GP "set output \"unitcell.ps\"\n");
-print(GP "unset key\n");
-print(GP "set xtics nomirror out rotate by 0\n");
-print(GP "unset xdata\n");
-print(GP "set format x \"% g\"\n");
-print(GP "set ylabel \"Frequency\"\n");
-print(GP "unset key\n");
-print(GP "set border lw 2\n");
-print(GP "set xtics nomirror out rotate by -60\n");
-print(GP "set grid\n");
-
-my $a;
-my $b;
-my $c;
-my $al;
-my $be;
-my $ga;
-
-print(GP "set xlabel \"Axis length / nm\"\n");
-print(GP "set title \"a\"\n");
-$a = &find_max(*FH, "^Cell\ parameters\ ([0-9\.]+)\ [0-9\.]+\ [0-9\.]+", "[0:60]");
-print(GP "set title \"b\"\n");
-$b = &find_max(*FH, "^Cell\ parameters\ [0-9\.]+\ ([0-9\.]+)\ [0-9\.]+", "[0:60]");
-print(GP "set title \"c\"\n");
-$c = &find_max(*FH, "^Cell\ parameters\ [0-9\.]+\ [0-9\.]+\ ([0-9\.]+)", "[0:60]");
-
-print(GP "set xlabel \"Angle / deg\"\n");
-print(GP "set title \"alpha\"\n");
-$al = &find_max(*FH, "([0-9\.]+)\ [0-9\.]+\ [0-9\.]+ deg\$", "[0:180]");
-print(GP "set title \"beta\"\n");
-$be = &find_max(*FH, "[0-9\.]+\ ([0-9\.]+)\ [0-9\.]+ deg\$", "[0:180]");
-print(GP "set title \"gamma\"\n");
-$ga = &find_max(*FH, "[0-9\.]+\ [0-9\.]+\ ([0-9\.]+) deg\$", "[0:180]");
-
-close(FH);
-close(GP);
-
-printf("Axis lengths: %5.2f %5.2f %5.2f nm\n", $a, $b, $c);
-printf("Angles: %5.2f %5.2f %5.2f deg\n", $al, $be, $ga);
-
-exit(0);
-
-
-
-sub find_max()
-{
-	my $fh = shift;
-	my $exp = shift;
-	my $lims = shift;
-
-	my $line;
-	my $hsteps = 1000;
-	my @hist;
-	my $hmin;
-	my $hmax;
-	my $first = 1;
-
-	seek $fh, 0, SEEK_SET or die("Couldn't rewind input");
-	while ( $line = <$fh> ) {
-
-		chomp $line;
-
-		if ( $line =~ /$exp/ ) {
-
-			my $val = $1;
-
-			if ( $first ) {
-				$hmin = $val;
-				$hmax = $val;
-				$first = 0;
-			}
-
-			if ( $val > $hmax ) { $hmax = $val; }
-			if ( $val < $hmin ) { $hmin = $val; }
-		}
-
-	}
-
-	my $hrange = $hmax - $hmin;
-
-	my $hstep = ($hmax - $hmin)/$hsteps;
-	for ( my $i=0; $i<$hsteps; $i++ ) {
-		$hist[$i] = 0;
-	}
-	seek $fh, 0, SEEK_SET or die("Couldn't rewind input");
-	while ( $line = <$fh> ) {
-		chomp $line;
-		if ( $line =~ /$exp/ ) {
-
-			my $val;
-			my $bin;
-
-			$val = $1;
-			$bin = floor(($val-$hmin)/$hstep);
-			$hist[$bin]++;
-
-		}
-	}
-	open(OFH, "> histogram.minated");
-	for ( my $i=0; $i<$hsteps; $i++ ) {
-		printf(OFH "%f %f\n", $hmin+$hstep*$i+($hstep/2), $hist[$i]);
-	}
-	close(OFH);
-	print(GP "plot ".$lims." [] \"histogram.minated\" u 1:2 w histeps lw 5 lc 3\n");
-
-	my $max = 0;
-	my $mval = 0;
-	for ( my $bin=0; $bin<$hsteps; $bin++ ) {
-		if ( $hist[$bin] > $mval ) {
-			$mval = $hist[$bin];
-			$max = $bin;
-		}
-	}
-	sleep(1);
-	unlink("histogram.minated");
-
-	$hmin + $hstep*$max;
-}
+echo "Do not use cell-please any more.  Use the Unit Cell Explorer, which has many useful features."
+echo
+echo -n "$ cell_explorer "
+echo $@