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598
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1 #!/usr/bin/perl
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2
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3 # fix Cerium xml normal vector
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4
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5 my $i = -1;
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6 my (@x,@y,@z);
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7 my @cord;
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8 my $fix = 1;
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9
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10 sub v {
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11 print "$x[0] $y[0] $z[0]\n";
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12 print "$x[1] $y[1] $z[1]\n";
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13 print "$x[2] $y[2] $z[2]\n";
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14 }
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15
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16 sub outer {
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17 my ($ax,$ay,$az) = (
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18 $x[1]-$x[0],
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19 $y[1]-$y[0],
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20 $z[1]-$z[0],
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21 );
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22 my ($bx,$by,$bz) = (
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23 $x[2]-$x[0],
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24 $y[2]-$y[0],
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25 $z[2]-$z[0],
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26 );
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27 my ($ox,$oy,$oz) = (
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28 $ay*$bz - $az*$by,
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29 -$ax*$bz + $az*$bx,
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30 $ax*$by - $ay*$bx,
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31 );
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32 my($r) = sqrt($ox*$ox+$oy*$oy+$oz*$oz);
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33 ($ox,$oy,$oz) = ($ox/$r,$oy/$r,$oz/$r);
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34 push(@cord, [$ox,$oy,$oz]);
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35 # print " $ox $oy $oz\n";
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36 }
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37
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38 while(<>) {
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39 if (! $fix) {
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40 if (/<sur/) {
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41 print;
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42 next;
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43 }
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44 }
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45 if (/<normal/) {
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46 $i= -2;
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47 print if ($fix);
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48 next;
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49 }
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50 if (/<\/normal/) {
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51 $i = -1;
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52 print if ($fix);
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53 next;
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54 }
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55 if ( $i < -1) {
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56 if ($i== -4) {
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57 my $cord = shift(@cord);
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58 if ($fix) {
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59 print " $cord->[0] $cord->[1] $cord->[2] \n";
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60 print " $cord->[0] $cord->[1] $cord->[2] \n";
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61 print " $cord->[0] $cord->[1] $cord->[2] \n";
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62 } else {
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63 print "outer $i $cord->[0] $cord->[1] $cord->[2] \n";
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64 print ;
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65 }
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66 $i = -2;
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67 } else {
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68 $i--;
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69 }
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70 next;
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71 }
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72 print if ($fix);
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73 if (/<\/coord/) {
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74 $i = -1;
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75 next;
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76 }
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77 if (/<coord/) {
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78 @cord = ();
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79 $i=0;
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80 next;
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81 }
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82 if ($i<0) {
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83 next;
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84 }
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85 if (/([-]*[.\d]+)\s+([-]*[.\d]+)\s+([-]*[.\d]+)/) {
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86 ($x[$i],$y[$i],$z[$i]) = ($1,$2,$3);
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87 # print "$i $_";
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88 if ($i==2) {
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89 &outer;
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90 $i = 0;
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91 next;
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92 }
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93 $i++;
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94 } else {
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95 $i = -1;
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96 }
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97 }
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98
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99 # end
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