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612
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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 $flag = 0;
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9 my $fix = 1;
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10
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11 sub v {
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12 print "$x[0] $y[0] $z[0]\n";
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13 print "$x[1] $y[1] $z[1]\n";
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14 print "$x[2] $y[2] $z[2]\n";
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15 }
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16
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17 sub outer {
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18 my ($ax,$ay,$az) = (
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19 $x[1]-$x[0],
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20 $y[1]-$y[0],
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21 $z[1]-$z[0],
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22 );
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23 my ($bx,$by,$bz) = (
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24 $x[2]-$x[0],
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25 $y[2]-$y[0],
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26 $z[2]-$z[0],
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27 );
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28 my ($ox,$oy,$oz) = (
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29 $ay*$bz - $az*$by,
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30 -$ax*$bz + $az*$bx,
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31 $ax*$by - $ay*$bx,
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32 );
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33 my($r) = sqrt($ox*$ox+$oy*$oy+$oz*$oz);
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34 ($ox,$oy,$oz) = ($ox/$r,$oy/$r,$oz/$r);
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35 push(@cord, [$ox,$oy,$oz]);
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36 # print " $ox $oy $oz\n";
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37 }
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38
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39 if (@ARGV != 2) {
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40 die "Usage : objectname filename\n";
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41 }
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42
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43 my ($object, $file) = @ARGV;
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44 open(IN, $file);
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45
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46 while(<IN>) {
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47 if (! $fix) {
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48 if (/<sur/) {
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49 print;
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50 next;
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51 }
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52 }
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53 if (/<normal/) {
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54 $i= -2;
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55 print if ($fix);
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56 next;
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57 }
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58 if (/<\/normal/) {
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59 $i = -1;
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60 print if ($fix);
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61 next;
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62 }
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63
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64 if (/$object/) {
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65 $flag = 1;
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66 }
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67
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68 if (/\/$object/) {
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69 $flag = 0;
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70 }
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71
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72 if ( $i < -1) {
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73 if ($i== -4) {
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74 my $cord = shift(@cord);
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75 if ($fix) {
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76
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77 if ($flag == 1) {
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78 $cord->[0] = -$cord->[0];
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79 $cord->[1] = -$cord->[1];
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80 $cord->[2] = -$cord->[2];
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81 }
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82
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83 print " $cord->[0] $cord->[1] $cord->[2] \n";
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84 print " $cord->[0] $cord->[1] $cord->[2] \n";
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85 print " $cord->[0] $cord->[1] $cord->[2] \n";
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86
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87 } else {
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88 print "outer $i $cord->[0] $cord->[1] $cord->[2] \n";
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89 print ;
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90 }
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91 $i = -2;
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92 } else {
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93 $i--;
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94 }
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95 next;
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96 }
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97 print if ($fix);
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98 if (/<\/coord/) {
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99 $i = -1;
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100 next;
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101 }
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102 if (/<coord/) {
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103 @cord = ();
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104 $i=0;
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105 next;
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106 }
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107 if ($i<0) {
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108 next;
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109 }
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110 if (/([-]*[.\d]+)\s+([-]*[.\d]+)\s+([-]*[.\d]+)/) {
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111 ($x[$i],$y[$i],$z[$i]) = ($1,$2,$3);
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112 # print "$i $_";
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113 if ($i==2) {
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114 &outer;
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115 $i = 0;
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116 next;
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117 }
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118 $i++;
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119 } else {
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120 $i = -1;
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121 }
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122 }
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123
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124 # end
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