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Re: Cartesian co-ordinate rotation around an Axis

by moritz (Cardinal)
on Aug 08, 2011 at 14:38 UTC ( #919230=note: print w/ replies, xml ) Need Help??


in reply to Cartesian co-ordinate rotation around an Axis

Start by posting a self-contained example that we can actually run, including the output and expected output.

You're using a lot of functions that you never declare, and neither tells us what they do, nor if you're certain that they do what you think they do (are they tested?).


Comment on Re: Cartesian co-ordinate rotation around an Axis
Re^2: Cartesian co-ordinate rotation around an Axis
by fraizerangus (Sexton) on Aug 08, 2011 at 16:34 UTC
    Hi Sorry I was trying to simplify the code, here's the working example:
    #XYZ Coordinates of point 1 on the axis $Xl1 = -3.902; $Yl1 = 9.353; $Zl1 = -1.556; #XYZ Coordinates of point 2 on the axis $Xl2 = -47.470; $Yl2 = -2.908; $Zl2 = -17.596; #XYZ Coordinates of a midpoint on the axis $XlM = -20.284; $YlM = 4.548; $ZlM = -7.261; #XYZ data for all the cartesian co-ordinates to be rotated @BMxcord = ( -18.731, -19.287, -20.545, -21.421, -19.594, -18.388, -18 +.784, -17.107, -20.681, -21.870, -23.239, -24.201, -21.604, -20.782, +-19.827, -29.918, -29.341, -30.384, -31.579, -28.853, -29.953, -27.73 +5, -29.939, -30.878, -31.833, -33.036, -30.088, -29.320, -29.582, -28 +.457, -31.275, -31.996, -31.636, -30.654, -31.599, -30.210, -31.741, +-32.428, -32.135, -30.851, -30.080, -33.281, -34.391, -35.291, -33.83 +4, -30.598, -29.385, -28.185, -27.196, -29.374, -28.083, -28.213, -26 +.851, -26.976, -28.281, -27.192, -27.020, -25.897, -27.447, -27.316, +-26.408, -28.108, -28.126, -28.039, -27.400, -26.592, -29.432, -29.51 +5, -28.622, -30.990, -27.788, -27.250, -25.745, -25.000, -27.931, -27 +.790, -27.786, -27.688, -25.280, -23.859, -23.145, -22.033, -23.597, +-24.127, -23.878, -23.247, -24.368, -23.758, -23.128, -22.938, -21.86 +4, -24.018, -23.448, -22.595, -23.733, -22.035, -23.167, -22.322, -23 +.984, -23.948, -22.987, -22.261, -25.376, -26.289, -25.329, -27.739, +-22.959, -22.088, -20.683, -19.718, -22.774, -22.821, -24.225, -20.53 +1, -19.203, -18.510, -17.411, -19.234, -19.923, -19.918, -20.834, -18 +.981); @BMycord = ( -0.135, -1.473, -1.396, -0.553, -2.172, -2.409, -3 +.016, -3.128, -2.300, -2.245, -2.337, -1.730, -3.351, -4.304, + -3.453, -5.632, -6.925, -7.735, -7.459, -7.732, -8.003, -6.95 +8, -8.747, -9.551, -10.352, -10.461, -10.510, -9.797, -8.595, -10 +.451, -10.936, -11.805, -11.519, -10.802, -13.294, -13.487, -13.642, +-12.075, -11.978, -12.716, -12.298, -12.532, -11.563, -12.246, -10.23 +2, -13.835, -14.574, -13.675, -13.667, -15.839, -16.600, -17.957, -18 +.613, -20.031, -12.904, -11.993, -10.918, -10.550, -11.319, -12.286, +-13.135, -12.169, -10.396, -9.393, -9.998, -9.339, -8.849, -7.90 +9, -6.677, -7.549, -11.220, -11.886, -12.043, -11.783, -13.252, -13 +.802, -13.011, -15.033, -12.456, -12.616, -11.284, -11.206, -13.346, +-14.755, -15.578, -15.119, -16.813, -10.226, -8.913, -8.514, -8.03 +0, -7.892, -6.509, -6.140, -5.581, -4.860, -4.280, -3.934, -8 +.686, -8.313, -9.148, -8.598, -8.459, -7.371, -8.392, -7.521, +-10.461, -11.246, -11.497, -11.631, -12.556, -13.385, -12.310, -11.49 +0, -11.666, -10.387, -10.096, -12.599, -13.930, -14.829, -15.660, -14 +.717); @BMzcord = ( -11.272, -11.499, -12.335, -12.114, -10.170, -9.308, -7 +.671, -6.966, -13.307, -14.145, -13.447, -13.882, -15.184, -14.461, +-13.654, -11.352, -11.736, -12.500, -12.407, -10.500, -9.622, -9.75 +5, -13.241, -14.011, -13.136, -13.408, -14.903, -15.991, -16.229, -16 +.622, -12.094, -11.190, -9.746, -9.448, -11.440, -11.070, -12.949, + -8.840, -7.411, -7.074, -6.199, -6.554, -6.233, -5.196, -5.63 +0, -7.746, -7.494, -7.804, -7.069, -8.366, -8.281, -8.920, -9 +.055, -9.478, -8.884, -9.228, -8.147, -7.798, -10.586, -11.759, +-11.716, -12.711, -7.647, -6.586, -5.331, -4.682, -6.290, -5.07 +9, -5.324, -4.806, -4.974, -3.803, -3.924, -2.971, -3.645, -2 +.257, -1.288, -2.135, -5.100, -5.309, -5.250, -4.727, -6.625, + -6.529, -7.770, -8.724, -7.760, -5.757, -5.673, -4.211, -3.82 +8, -6.380, -6.415, -7.449, -5.409, -7.485, -5.431, -6.480, -3 +.405, -2.000, -1.168, -0.347, -1.390, -1.967, 0.151, -1.574, + -1.364, -0.490, -1.042, -0.257, -0.095, -1.247, 0.420, -2.35 +8, -2.942, -3.385, -2.922, -4.139, -3.875, -5.113, -5.290, -5 +.920); #Array size for for loop $BMatoms = 122; ($LineVform, $LineUnitvector) = &Haxell($Xl1, $Yl1, $Zl1, $Xl2, $Yl2, +$Zl2); (*xo, *yo, *zo) = &rotator(\@BMxcord, \@BMycord, \@BMzcord, $BMatoms, +$LineUnitvector, $XlM, $YlM, $ZlM); ###################### #SUBROUTINES ###################### sub Haxell { ($Xl1, $Yl1, $Zl1, $Xl2, $Yl2, $Zl2) = @_; $Axx = $Xl1 - $Xl2; $Axy = $Yl1 - $Yl2; $Axz = $Zl1 - $Zl2; $Vform = V($Axx,$Axy,$Axz); $vector = sqrt($Axx**2 + $Axy**2 + $Axz**2); $Unitvector = 1/$vector * $Vform; return($Vform, $Unitvector); } sub rotator { use Math::Vector::Real; (*xcord, *ycord, *zcord, $BMatoms, $LineUnitvector, $XlM, $YlM, $ZlM) += @_; $angrad = 9.4; $transl = 0.4; my $coefl1; my $coefl2; my @Xco; my @Yco; my @Zco; my @Vector; my @scal; my @f; my @s; my @fx; my @fy; my @fz; my @sx; my @sy; my @sz; my @xo; my @yo; my @zo; $coefl1 = 1-cos($angrad); $coefl2 = sin($angrad); ($LUVx, $LUVy, $LUVz) = &VectorBreakdown($LineUnitvector); for (my $i = 0; $i < $BMatoms; $i++) { $Xco[$i] = $xcord[$i] - $XlM; $Yco[$i] = $ycord[$i] - $YlM; $Zco[$i] = $zcord[$i] - $ZlM; $Vector[$i] = V($Xco[$i], $Yco[$i], $Zco[$i]); $scal[$i] = $LineUnitvector * $Vector[$i]; $f[$i] = $scal[$i] * ($LineUnitvector - $Vector[$i]); $f[$i] = $coefl1 * $f[$i]; $s[$i] = $LineUnitvector x $Vector[$i]; $s[$i] = $coefl2 * $s[$i]; ($fx[$i], $fy[$i], $fz[$i]) = &VectorBreakdown($f[$i]); ($sx[$i], $sy[$i], $sz[$i]) = &VectorBreakdown($s[$i]); $xo[$i] = $xcord[$i] + $fx[$i] + $sx[$i] + ($transl * $LUVx); $yo[$i] = $ycord[$i] + $fy[$i] + $sy[$i] + ($transl * $LUVy); $zo[$i] = $zcord[$i] + $fz[$i] + $sz[$i] + ($transl * $LUVz); $xo[$i] = sprintf("%.3f", $xo[$i]); $yo[$i] = sprintf("%.3f", $yo[$i]); $zo[$i] = sprintf("%.3f", $zo[$i]); } return(\@xo, \@yo, \@zo); } sub VectorBreakdown { ($complete) = @_; my @personal = (); @personal = split(/,/, $complete); $personal[0] = substr($personal[0], 1); $personal[2] = substr($personal[2], 0, -1); return ($personal[0], $personal[1], $personal[2]); }

      I have difficulty understanding your initial post as well as your clarifying post. If you want to rotate you typically need a Rotation matrix R. You represent the point you want to rotate by a vector v and perform the multiplication R.v. This is fairly straightforward. CPAN is your friend: Math::VectorReal contains an example of rotating a vector with a rotation matrix.

      HTH

      Harry

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