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// The following script was automatically generated by: |
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// xyz2pov Copyright 2001 by MATTHEW A. MEINEKE |
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#include "colors.inc" |
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#include "math.inc" |
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background { rgb <1.0, 1.0, 1.0> } |
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//****************************************************** |
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// Declare the resolution, camera, and light sources. |
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//****************************************************** |
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// NOTE: if you plan to render at a different resoltion, |
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// be sure to update the following two lines to maintain |
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// the correct aspect ratio. |
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#declare Width = 1024.0; |
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#declare Height = 1024.0; |
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#declare Ratio = Width / Height; |
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#declare zoom = 50; |
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#declare FIELD_OF_VIEW = 1.75; |
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#declare VIEW_ANGLE = atan(2*FIELD_OF_VIEW/zoom)*57.2958; |
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#declare ATOM_SPHERE_FACTOR = 0.2; |
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#declare BOND_RADIUS = 0.1; |
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#declare VECTOR_SCALE = 1.0; |
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#declare STICK_RADIUS = 0.5 * BOND_RADIUS; |
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#declare CONE_RADIUS = 2.0 * STICK_RADIUS; |
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#declare CONE_FRACTION = 0.15; |
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// declare camera, light, and system variables |
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#declare sysCenterX = 0.497274; |
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#declare sysCenterY = 0.499610; |
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#declare sysCenterZ = 0.500935; |
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#declare zoom = 0.862250; |
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#declare cameraLookX = sysCenterX; |
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#declare cameraLookY = sysCenterY; |
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#declare cameraLookZ = sysCenterZ; |
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#declare rotatePointX = cameraLookX; |
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#declare rotatePointY = cameraLookY; |
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#declare rotatePointZ = cameraLookZ; |
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#declare cameraX = cameraLookX; |
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#declare cameraY = cameraLookY; |
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#declare cameraZ = cameraLookZ - zoom; |
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#declare lightAx = cameraX; |
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#declare lightAy = cameraY; |
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#declare lightAz = cameraZ; |
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#declare lightBx = cameraX - zoom; |
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#declare lightBy = cameraY + zoom; |
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#declare lightBz = cameraZ; |
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#declare boxCenterX = cameraLookX; |
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#declare boxCenterY = cameraLookY; |
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#declare boxCenterZ = cameraLookZ; |
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#declare fn = function(x,y,z) {(y+1)/2} |
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#declare grad1 = pigment { function { fn(x, y, z) } color_map {[0.0 rgb <0,0,0>] [1.0 rgb <3,0,0>]} }; |
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#declare grad2 = pigment { function { fn(x, y, z) } rotate 120*z color_map {[0.0 rgb <0,0,0>] [1.0 rgb <0,3,0>]} }; |
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#declare grad3 = pigment { function { fn(x, y, z) } rotate 240*z color_map {[0.0 rgb <0,0,0>] [1.0 rgb <0,0,3>]} }; |
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#declare fnz = function(x,y,z) {(z+1)/2} |
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#declare gradz = pigment { function { fnz(x, y, z) } color_map {[0.0 rgb <0,0,0>] [1.0 rgb <1,1,1>]} }; |
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#declare fn2 = function(x,y,z) { |
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(z<-0.806) * 0.33 + |
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(z>=-0.8)*(y>=0.01) * 0.66 + |
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(z>=-0.8)*(y<=-0.01) * 1.0 |
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} |
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// declare the cameras and the light sources |
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camera{ |
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perspective |
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location < cameraX, cameraY, cameraZ> * zoom |
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angle VIEW_ANGLE |
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right < Ratio , 0, 0> |
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look_at < cameraLookX, cameraLookY, cameraLookZ > |
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} |
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light_source{ |
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< lightAx, lightAy, lightAz > |
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rgb < 1.0, 1.0, 1.0 > } |
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light_source{ |
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< lightBx, lightBy, lightBz > |
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rgb < 1.0, 1.0, 1.0 > } |
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//************************************************************ |
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// Set whether or not to rotate the system. |
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// |
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// To Rotate, set ROTATE to 1.0 (true), |
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// Then set the Euler Angles PHI, THETA, and PSI in degrees. |
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//************************************************************ |
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#declare ROTATE = 0.0; |
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#declare PHI = 0.0; |
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#declare THETA = 0.0; |
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#declare PSI = 0.0; |
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#if(ROTATE) |
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#declare phi_r = radians(PHI); |
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#declare theta_r = radians(THETA); |
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#declare psi_r = radians(PSI); |
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#declare A11 = cos(phi_r) * cos(psi_r) - sin(phi_r) * cos(theta_r) * sin(psi_r); |
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#declare A12 = sin(phi_r) * cos(psi_r) + cos(phi_r) * cos(theta_r) * sin(psi_r); |
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#declare A13 = sin(theta_r) * sin(psi_r); |
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#declare A21 = -cos(phi_r) * sin(psi_r) - sin(phi_r) * cos(theta_r) * cos(psi_r); |
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#declare A22 = -sin(phi_r) * sin(psi_r) + cos(phi_r) * cos(theta_r) * cos(psi_r); |
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#declare A23 = sin(theta_r) * cos(psi_r); |
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#declare A31 = sin(phi_r) * sin(theta_r); |
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#declare A32 = -cos(phi_r) * sin(theta_r); |
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#declare A33 = cos(theta_r); |
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#end |
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//************************************************************ |
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// declare the periodic box macro |
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//************************************************************ |
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#macro makePeriodicBox( bx1, by1, bz1, bx2, by2, bz2, bx3, by3, bz3 ) |
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#local bcx = (bx1 + bx2 + bx3) / 2.0; |
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#local bcy = (by1 + by2 + by3) / 2.0; |
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#local bcz = (bz1 + bz2 + bz3) / 2.0; |
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#local pAx = boxCenterX - bcx; |
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#local pAy = boxCenterY - bcy; |
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#local pAz = boxCenterZ - bcz; |
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#local pBx = boxCenterX + bx1 - bcx; |
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#local pBy = boxCenterY + by1 - bcy; |
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#local pBz = boxCenterZ + bz1 - bcz; |
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#local pCx = boxCenterX + bx2 - bcx; |
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#local pCy = boxCenterY + by2 - bcy; |
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#local pCz = boxCenterZ + bz2 - bcz; |
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#local pDx = boxCenterX + bx3 - bcx; |
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#local pDy = boxCenterY + by3 - bcy; |
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#local pDz = boxCenterZ + bz3 - bcz; |
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#local pEx = boxCenterX + bx1 + bx2 - bcx; |
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#local pEy = boxCenterY + by1 + by2 - bcy; |
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#local pEz = boxCenterZ + bz1 + bz2 - bcz; |
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#local pFx = boxCenterX + bx1 + bx3 - bcx; |
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#local pFy = boxCenterY + by1 + by3 - bcy; |
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#local pFz = boxCenterZ + bz1 + bz3 - bcz; |
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#local pGx = boxCenterX + bx2 + bx3 - bcx; |
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#local pGy = boxCenterY + by2 + by3 - bcy; |
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#local pGz = boxCenterZ + bz2 + bz3 - bcz; |
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#local pHx = boxCenterX + bx1 + bx2 + bx3 - bcx; |
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#local pHy = boxCenterY + by1 + by2 + by3 - bcy; |
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#local pHz = boxCenterZ + bz1 + bz2 + bz3 - bcz; |
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#if(ROTATE) |
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#local pAx_new = rotatePointX + A11 * (pAx-rotatePointX) + A12 * (pAy-rotatePointY) + A13 * (pAz-rotatePointZ); |
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#local pAy_new = rotatePointY + A21 * (pAx-rotatePointX) + A22 * (pAy-rotatePointY) + A23 * (pAz-rotatePointZ); |
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#local pAz_new = rotatePointZ + A31 * (pAx-rotatePointX) + A32 * (pAy-rotatePointY) + A33 * (pAz-rotatePointZ); |
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#local pBx_new = rotatePointX + A11 * (pBx-rotatePointX) + A12 * (pBy-rotatePointY) + A13 * (pBz-rotatePointZ); |
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#local pBy_new = rotatePointY + A21 * (pBx-rotatePointX) + A22 * (pBy-rotatePointY) + A23 * (pBz-rotatePointZ); |
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#local pBz_new = rotatePointZ + A31 * (pBx-rotatePointX) + A32 * (pBy-rotatePointY) + A33 * (pBz-rotatePointZ); |
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#local pCx_new = rotatePointX + A11 * (pCx-rotatePointX) + A12 * (pCy-rotatePointY) + A13 * (pCz-rotatePointZ); |
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#local pCy_new = rotatePointY + A21 * (pCx-rotatePointX) + A22 * (pCy-rotatePointY) + A23 * (pCz-rotatePointZ); |
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#local pCz_new = rotatePointZ + A31 * (pCx-rotatePointX) + A32 * (pCy-rotatePointY) + A33 * (pCz-rotatePointZ); |
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#local pDx_new = rotatePointX + A11 * (pDx-rotatePointX) + A12 * (pDy-rotatePointY) + A13 * (pDz-rotatePointZ); |
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#local pDy_new = rotatePointY + A21 * (pDx-rotatePointX) + A22 * (pDy-rotatePointY) + A23 * (pDz-rotatePointZ); |
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#local pDz_new = rotatePointZ + A31 * (pDx-rotatePointX) + A32 * (pDy-rotatePointY) + A33 * (pDz-rotatePointZ); |
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#local pEx_new = rotatePointX + A11 * (pEx-rotatePointX) + A12 * (pEy-rotatePointY) + A13 * (pEz-rotatePointZ); |
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#local pEy_new = rotatePointY + A21 * (pEx-rotatePointX) + A22 * (pEy-rotatePointY) + A23 * (pEz-rotatePointZ); |
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#local pEz_new = rotatePointZ + A31 * (pEx-rotatePointX) + A32 * (pEy-rotatePointY) + A33 * (pEz-rotatePointZ); |
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#local pFx_new = rotatePointX + A11 * (pFx-rotatePointX) + A12 * (pFy-rotatePointY) + A13 * (pFz-rotatePointZ); |
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#local pFy_new = rotatePointY + A21 * (pFx-rotatePointX) + A22 * (pFy-rotatePointY) + A23 * (pFz-rotatePointZ); |
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#local pFz_new = rotatePointZ + A31 * (pFx-rotatePointX) + A32 * (pFy-rotatePointY) + A33 * (pFz-rotatePointZ); |
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#local pGx_new = rotatePointX + A11 * (pGx-rotatePointX) + A12 * (pGy-rotatePointY) + A13 * (pGz-rotatePointZ); |
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#local pGy_new = rotatePointY + A21 * (pGx-rotatePointX) + A22 * (pGy-rotatePointY) + A23 * (pGz-rotatePointZ); |
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#local pGz_new = rotatePointZ + A31 * (pGx-rotatePointX) + A32 * (pGy-rotatePointY) + A33 * (pGz-rotatePointZ); |
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#local pHx_new = rotatePointX + A11 * (pHx-rotatePointX) + A12 * (pHy-rotatePointY) + A13 * (pHz-rotatePointZ); |
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#local pHy_new = rotatePointY + A21 * (pHx-rotatePointX) + A22 * (pHy-rotatePointY) + A23 * (pHz-rotatePointZ); |
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#local pHz_new = rotatePointZ + A31 * (pHx-rotatePointX) + A32 * (pHy-rotatePointY) + A33 * (pHz-rotatePointZ); |
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#else |
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#local pAx_new = pAx; #local pAy_new = pAy; #local pAz_new = pAz; |
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#local pBx_new = pBx; #local pBy_new = pBy; #local pBz_new = pBz; |
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#local pCx_new = pCx; #local pCy_new = pCy; #local pCz_new = pCz; |
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#local pDx_new = pDx; #local pDy_new = pDy; #local pDz_new = pDz; |
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#local pEx_new = pEx; #local pEy_new = pEy; #local pEz_new = pEz; |
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#local pFx_new = pFx; #local pFy_new = pFy; #local pFz_new = pFz; |
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#local pGx_new = pGx; #local pGy_new = pGy; #local pGz_new = pGz; |
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#local pHx_new = pHx; #local pHy_new = pHy; #local pHz_new = pHz; |
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#end |
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#local pAx = pAx_new; #local pAy = pAy_new; #local pAz = pAz_new; |
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#local pBx = pBx_new; #local pBy = pBy_new; #local pBz = pBz_new; |
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#local pCx = pCx_new; #local pCy = pCy_new; #local pCz = pCz_new; |
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#local pDx = pDx_new; #local pDy = pDy_new; #local pDz = pDz_new; |
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#local pEx = pEx_new; #local pEy = pEy_new; #local pEz = pEz_new; |
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#local pFx = pFx_new; #local pFy = pFy_new; #local pFz = pFz_new; |
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#local pGx = pGx_new; #local pGy = pGy_new; #local pGz = pGz_new; |
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#local pHx = pHx_new; #local pHy = pHy_new; #local pHz = pHz_new; |
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#local colorR = 0.90; |
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#local colorG = 0.91; |
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#local colorB = 0.98; |
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#local pipeWidth = 0.005; |
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// 1 |
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cylinder{ |
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< pAx, pAy, pAz >, |
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< pBx, pBy, pBz >, |
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pipeWidth |
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texture{ |
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pigment{ rgb < colorR, colorG, colorB > } |
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finish{ |
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ambient .2 |
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diffuse .6 |
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specular 1 |
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roughness .001 |
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metallic |
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} |
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} |
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} |
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// 2 |
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cylinder{ |
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< pAx, pAy, pAz >, |
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< pCx, pCy, pCz >, |
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pipeWidth |
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texture{ |
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pigment{ rgb < colorR, colorG, colorB > } |
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finish{ |
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ambient .2 |
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diffuse .6 |
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specular 1 |
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roughness .001 |
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metallic |
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} |
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} |
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} |
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// 3 |
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cylinder{ |
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< pAx, pAy, pAz >, |
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< pDx, pDy, pDz >, |
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pipeWidth |
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texture{ |
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pigment{ rgb < colorR, colorG, colorB > } |
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finish{ |
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ambient .2 |
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diffuse .6 |
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specular 1 |
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roughness .001 |
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metallic |
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} |
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} |
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} |
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// 4 |
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cylinder{ |
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< pBx, pBy, pBz >, |
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< pEx, pEy, pEz >, |
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pipeWidth |
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texture{ |
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pigment{ rgb < colorR, colorG, colorB > } |
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finish{ |
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ambient .2 |
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diffuse .6 |
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specular 1 |
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roughness .001 |
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metallic |
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} |
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} |
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} |
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// 5 |
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cylinder{ |
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< pCx, pCy, pCz >, |
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< pEx, pEy, pEz >, |
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pipeWidth |
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texture{ |
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pigment{ rgb < colorR, colorG, colorB > } |
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finish{ |
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ambient .2 |
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diffuse .6 |
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specular 1 |
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roughness .001 |
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metallic |
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} |
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} |
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} |
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// 6 |
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cylinder{ |
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< pBx, pBy, pBz >, |
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< pFx, pFy, pFz >, |
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pipeWidth |
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texture{ |
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pigment{ rgb < colorR, colorG, colorB > } |
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finish{ |
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ambient .2 |
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diffuse .6 |
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specular 1 |
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roughness .001 |
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metallic |
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} |
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} |
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} |
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// 7 |
321 |
|
|
cylinder{ |
322 |
|
|
< pCx, pCy, pCz >, |
323 |
|
|
< pGx, pGy, pGz >, |
324 |
|
|
pipeWidth |
325 |
|
|
texture{ |
326 |
|
|
pigment{ rgb < colorR, colorG, colorB > } |
327 |
|
|
finish{ |
328 |
|
|
ambient .2 |
329 |
|
|
diffuse .6 |
330 |
|
|
specular 1 |
331 |
|
|
roughness .001 |
332 |
|
|
metallic |
333 |
|
|
} |
334 |
|
|
} |
335 |
|
|
} |
336 |
|
|
|
337 |
|
|
// 8 |
338 |
|
|
cylinder{ |
339 |
|
|
< pDx, pDy, pDz >, |
340 |
|
|
< pGx, pGy, pGz >, |
341 |
|
|
pipeWidth |
342 |
|
|
texture{ |
343 |
|
|
pigment{ rgb < colorR, colorG, colorB > } |
344 |
|
|
finish{ |
345 |
|
|
ambient .2 |
346 |
|
|
diffuse .6 |
347 |
|
|
specular 1 |
348 |
|
|
roughness .001 |
349 |
|
|
metallic |
350 |
|
|
} |
351 |
|
|
} |
352 |
|
|
} |
353 |
|
|
|
354 |
|
|
// 9 |
355 |
|
|
cylinder{ |
356 |
|
|
< pDx, pDy, pDz >, |
357 |
|
|
< pFx, pFy, pFz >, |
358 |
|
|
pipeWidth |
359 |
|
|
texture{ |
360 |
|
|
pigment{ rgb < colorR, colorG, colorB > } |
361 |
|
|
finish{ |
362 |
|
|
ambient .2 |
363 |
|
|
diffuse .6 |
364 |
|
|
specular 1 |
365 |
|
|
roughness .001 |
366 |
|
|
metallic |
367 |
|
|
} |
368 |
|
|
} |
369 |
|
|
} |
370 |
|
|
|
371 |
|
|
// 10 |
372 |
|
|
cylinder{ |
373 |
|
|
< pEx, pEy, pEz >, |
374 |
|
|
< pHx, pHy, pHz >, |
375 |
|
|
pipeWidth |
376 |
|
|
texture{ |
377 |
|
|
pigment{ rgb < colorR, colorG, colorB > } |
378 |
|
|
finish{ |
379 |
|
|
ambient .2 |
380 |
|
|
diffuse .6 |
381 |
|
|
specular 1 |
382 |
|
|
roughness .001 |
383 |
|
|
metallic |
384 |
|
|
} |
385 |
|
|
} |
386 |
|
|
} |
387 |
|
|
|
388 |
|
|
// 11 |
389 |
|
|
cylinder{ |
390 |
|
|
< pFx, pFy, pFz >, |
391 |
|
|
< pHx, pHy, pHz >, |
392 |
|
|
pipeWidth |
393 |
|
|
texture{ |
394 |
|
|
pigment{ rgb < colorR, colorG, colorB > } |
395 |
|
|
finish{ |
396 |
|
|
ambient .2 |
397 |
|
|
diffuse .6 |
398 |
|
|
specular 1 |
399 |
|
|
roughness .001 |
400 |
|
|
metallic |
401 |
|
|
} |
402 |
|
|
} |
403 |
|
|
} |
404 |
|
|
|
405 |
|
|
// 12 |
406 |
|
|
cylinder{ |
407 |
|
|
< pGx, pGy, pGz >, |
408 |
|
|
< pHx, pHy, pHz >, |
409 |
|
|
pipeWidth |
410 |
|
|
texture{ |
411 |
|
|
pigment{ rgb < colorR, colorG, colorB > } |
412 |
|
|
finish{ |
413 |
|
|
ambient .2 |
414 |
|
|
diffuse .6 |
415 |
|
|
specular 1 |
416 |
|
|
roughness .001 |
417 |
|
|
metallic |
418 |
|
|
} |
419 |
|
|
} |
420 |
|
|
} |
421 |
|
|
|
422 |
|
|
#end |
423 |
|
|
|
424 |
|
|
|
425 |
|
|
//**************************************************** |
426 |
|
|
// DEFINE GBDP MACROS |
427 |
|
|
//**************************************************** |
428 |
|
|
|
429 |
|
|
#macro make_GBDP_bond (end_1x, end_1y, end_1z, end_2x, end_2y, end_2z) |
430 |
|
|
|
431 |
|
|
#local x1 = end_1x; |
432 |
|
|
#local y1 = end_1y; |
433 |
|
|
#local z1 = end_1z; |
434 |
|
|
#local x2 = end_2x; |
435 |
|
|
#local y2 = end_2y; |
436 |
|
|
#local z2 = end_2z; |
437 |
|
|
|
438 |
|
|
#if(ROTATE) |
439 |
|
|
#local x1_new = rotatePointX + A11 * (x1-rotatePointX) + A12 * (y1-rotatePointY) + A13 * (z1-rotatePointZ); |
440 |
|
|
#local y1_new = rotatePointY + A21 * (x1-rotatePointX) + A22 * (y1-rotatePointY) + A23 * (z1-rotatePointZ); |
441 |
|
|
#local z1_new = rotatePointZ + A31 * (x1-rotatePointX) + A32 * (y1-rotatePointY) + A33 * (z1-rotatePointZ); |
442 |
|
|
|
443 |
|
|
#local x2_new = rotatePointX + A11 * (x2-rotatePointX) + A12 * (y2-rotatePointY) + A13 * (z2-rotatePointZ); |
444 |
|
|
#local y2_new = rotatePointY + A21 * (x2-rotatePointX) + A22 * (y2-rotatePointY) + A23 * (z2-rotatePointZ); |
445 |
|
|
#local z2_new = rotatePointZ + A31 * (x2-rotatePointX) + A32 * (y2-rotatePointY) + A33 * (z2-rotatePointZ); |
446 |
|
|
|
447 |
|
|
#else |
448 |
|
|
#local x1_new = x1; #local y1_new = y1; #local z1_new = z1; |
449 |
|
|
#local x2_new = x2; #local y2_new = y2; #local z2_new = z2; |
450 |
|
|
#end |
451 |
|
|
|
452 |
|
|
cylinder{ |
453 |
|
|
< x1_new, y1_new, z1_new >, |
454 |
|
|
< x2_new, y2_new, z2_new >, |
455 |
|
|
BOND_RADIUS |
456 |
|
|
texture{ |
457 |
|
|
pigment{ rgb < 1.000000, 0.078431, 0.576471 > } |
458 |
|
|
finish{ |
459 |
|
|
ambient .2 |
460 |
|
|
diffuse .6 |
461 |
|
|
specular 1 |
462 |
|
|
roughness .001 |
463 |
|
|
metallic |
464 |
|
|
} |
465 |
|
|
} |
466 |
|
|
} |
467 |
|
|
#end |
468 |
|
|
#macro make_GBDP_atom (center_x, center_y, center_z) |
469 |
|
|
|
470 |
|
|
#local x1 = center_x; |
471 |
|
|
#local y1 = center_y; |
472 |
|
|
#local z1 = center_z; |
473 |
|
|
|
474 |
|
|
#if(ROTATE) |
475 |
|
|
|
476 |
|
|
#local x1_new = rotatePointX + A11 * (x1-rotatePointX) + A12 * (y1-rotatePointY) + A13 * (z1-rotatePointZ); |
477 |
|
|
#local y1_new = rotatePointY + A21 * (x1-rotatePointX) + A22 * (y1-rotatePointY) + A23 * (z1-rotatePointZ); |
478 |
|
|
#local z1_new = rotatePointZ + A31 * (x1-rotatePointX) + A32 * (y1-rotatePointY) + A33 * (z1-rotatePointZ); |
479 |
|
|
|
480 |
|
|
#else |
481 |
|
|
|
482 |
|
|
#local x1_new = x1; #local y1_new = y1; #local z1_new = z1; |
483 |
|
|
#end |
484 |
|
|
|
485 |
|
|
sphere{ |
486 |
|
|
< x1_new, y1_new, z1_new >, |
487 |
|
|
ATOM_SPHERE_FACTOR * 10.000000 |
488 |
|
|
texture{ |
489 |
|
|
pigment{ rgb < 1.000000, 0.078431, 0.576471 > } |
490 |
|
|
finish{ |
491 |
|
|
ambient .2 |
492 |
|
|
diffuse .6 |
493 |
|
|
specular 1 |
494 |
|
|
roughness .001 |
495 |
|
|
metallic |
496 |
|
|
} |
497 |
|
|
} |
498 |
|
|
} |
499 |
|
|
#end |
500 |
|
|
#macro make_GBDP_ellipse (center_x, center_y, center_z, ecc, u_x, u_y, u_z) |
501 |
|
|
|
502 |
|
|
#local x1 = center_x; |
503 |
|
|
#local y1 = center_y; |
504 |
|
|
#local z1 = center_z; |
505 |
|
|
#local x2 = u_x; |
506 |
|
|
#local y2 = u_y; |
507 |
|
|
#local z2 = u_z; |
508 |
|
|
|
509 |
|
|
#if(ROTATE) |
510 |
|
|
|
511 |
|
|
#local x1_new = rotatePointX + A11 * (x1-rotatePointX) + A12 * (y1-rotatePointY) + A13 * (z1-rotatePointZ); |
512 |
|
|
#local y1_new = rotatePointY + A21 * (x1-rotatePointX) + A22 * (y1-rotatePointY) + A23 * (z1-rotatePointZ); |
513 |
|
|
#local z1_new = rotatePointZ + A31 * (x1-rotatePointX) + A32 * (y1-rotatePointY) + A33 * (z1-rotatePointZ); |
514 |
|
|
|
515 |
|
|
#local x2_new = rotatePointX + A11 * (x2-rotatePointX) + A12 * (y2-rotatePointY) + A13 * (z2-rotatePointZ); |
516 |
|
|
#local y2_new = rotatePointY + A21 * (x2-rotatePointX) + A22 * (y2-rotatePointY) + A23 * (z2-rotatePointZ); |
517 |
|
|
#local z2_new = rotatePointZ + A31 * (x2-rotatePointX) + A32 * (y2-rotatePointY) + A33 * (z2-rotatePointZ); |
518 |
|
|
|
519 |
|
|
#else |
520 |
|
|
|
521 |
|
|
#local x1_new = x1; #local y1_new = y1; #local z1_new = z1; |
522 |
|
|
#local x2_new = x2; #local y2_new = y2; #local z2_new = z2; |
523 |
|
|
#end |
524 |
|
|
|
525 |
|
|
#local myUlen = sqrt(x2_new*x2_new + y2_new*y2_new + z2_new*z2_new); |
526 |
|
|
#local uux = x2_new / myUlen; |
527 |
|
|
#local uuy = y2_new / myUlen; |
528 |
|
|
#local uuz = z2_new / myUlen; |
529 |
|
|
#local myTheta = degrees(acos(uuz)); |
530 |
|
|
#local myPsi = -degrees(atan(uux/uuy)); |
531 |
|
|
#local myScale = ATOM_SPHERE_FACTOR * 10.000000; |
532 |
|
|
|
533 |
|
|
sphere{ |
534 |
|
|
< 0, 0, 0 >, 1 |
535 |
|
|
texture{ |
536 |
|
|
pigment{ |
537 |
|
|
average |
538 |
|
|
pigment_map{ |
539 |
|
|
[1.0 grad1] |
540 |
|
|
[1.0 grad2] |
541 |
|
|
[1.0 grad3] |
542 |
|
|
[5.0 gradz] |
543 |
|
|
} |
544 |
|
|
} |
545 |
|
|
finish{ |
546 |
|
|
ambient .2 |
547 |
|
|
diffuse .6 |
548 |
|
|
specular 1 |
549 |
|
|
roughness .001 |
550 |
|
|
metallic |
551 |
|
|
} |
552 |
|
|
} |
553 |
|
|
scale<myScale,myScale,ecc*myScale> |
554 |
|
|
rotate<myTheta,0,myPsi> |
555 |
|
|
translate< x1_new, y1_new, z1_new> |
556 |
|
|
} |
557 |
|
|
#end |
558 |
|
|
#macro make_GBDP_shaded_ellipse (center_x, center_y, center_z, ecc, u_x, u_y, u_z, v_x, v_y, v_z) |
559 |
|
|
|
560 |
|
|
#local x1 = center_x; |
561 |
|
|
#local y1 = center_y; |
562 |
|
|
#local z1 = center_z; |
563 |
|
|
#local x2 = u_x; |
564 |
|
|
#local y2 = u_y; |
565 |
|
|
#local z2 = u_z; |
566 |
|
|
#local x3 = v_x; |
567 |
|
|
#local y3 = v_y; |
568 |
|
|
#local z3 = v_z; |
569 |
|
|
|
570 |
|
|
#if(ROTATE) |
571 |
|
|
|
572 |
|
|
#local x1_new = rotatePointX + A11 * (x1-rotatePointX) + A12 * (y1-rotatePointY) + A13 * (z1-rotatePointZ); |
573 |
|
|
#local y1_new = rotatePointY + A21 * (x1-rotatePointX) + A22 * (y1-rotatePointY) + A23 * (z1-rotatePointZ); |
574 |
|
|
#local z1_new = rotatePointZ + A31 * (x1-rotatePointX) + A32 * (y1-rotatePointY) + A33 * (z1-rotatePointZ); |
575 |
|
|
|
576 |
|
|
#local x2_new = rotatePointX + A11 * (x2-rotatePointX) + A12 * (y2-rotatePointY) + A13 * (z2-rotatePointZ); |
577 |
|
|
#local y2_new = rotatePointY + A21 * (x2-rotatePointX) + A22 * (y2-rotatePointY) + A23 * (z2-rotatePointZ); |
578 |
|
|
#local z2_new = rotatePointZ + A31 * (x2-rotatePointX) + A32 * (y2-rotatePointY) + A33 * (z2-rotatePointZ); |
579 |
|
|
|
580 |
|
|
#local x3_new = rotatePointX + A11 * (x3-rotatePointX) + A12 * (y3-rotatePointY) + A13 * (z3-rotatePointZ); |
581 |
|
|
#local y3_new = rotatePointY + A21 * (x3-rotatePointX) + A22 * (y3-rotatePointY) + A23 * (z3-rotatePointZ); |
582 |
|
|
#local z3_new = rotatePointZ + A31 * (x3-rotatePointX) + A32 * (y3-rotatePointY) + A33 * (z3-rotatePointZ); |
583 |
|
|
|
584 |
|
|
#else |
585 |
|
|
|
586 |
|
|
#local x1_new = x1; #local y1_new = y1; #local z1_new = z1; |
587 |
|
|
#local x2_new = x2; #local y2_new = y2; #local z2_new = z2; |
588 |
|
|
#local x3_new = x3; #local y3_new = y3; #local z3_new = z3; |
589 |
|
|
#end |
590 |
|
|
|
591 |
|
|
#local myUlen = sqrt(x2_new*x2_new + y2_new*y2_new + z2_new*z2_new); |
592 |
|
|
#local uux = x2_new / myUlen; |
593 |
|
|
#local uuy = y2_new / myUlen; |
594 |
|
|
#local uuz = z2_new / myUlen; |
595 |
|
|
#local myVlen = sqrt(x3_new*x3_new + y3_new*y3_new + z3_new*z3_new); |
596 |
|
|
#local vvx = x3_new / myVlen; |
597 |
|
|
#local vvy = y3_new / myVlen; |
598 |
|
|
#local vvz = z3_new / myVlen; |
599 |
|
|
|
600 |
|
|
#local myTheta = degrees(acos(uuz)); |
601 |
|
|
#local myPsi = -degrees(atan(uux/uuy)); |
602 |
|
|
#local myPhi = degrees(acos(vvz)); |
603 |
|
|
#local myScale = ATOM_SPHERE_FACTOR * 0.13; |
604 |
|
|
|
605 |
|
|
sphere{ |
606 |
|
|
< 0, 0, 0 >, 1 |
607 |
|
|
texture{ |
608 |
|
|
pigment{ |
609 |
|
|
function {fn2(x,y,z)} |
610 |
|
|
color_map { |
611 |
|
|
[0.0 rgb<0.3,0.3,0.3>] |
612 |
|
|
[0.33 rgb<0.9,0.9,0.9>] |
613 |
|
|
[0.66 rgb<0.3,0.3,1.0>] |
614 |
|
|
[1.0 rgb <0.75,0.75,0.3>] |
615 |
|
|
} |
616 |
|
|
/* |
617 |
|
|
average |
618 |
|
|
pigment_map{ |
619 |
|
|
[1.0 grad1] |
620 |
|
|
[1.0 grad2] |
621 |
|
|
[1.0 grad3] |
622 |
|
|
[5.0 gradz] |
623 |
|
|
} |
624 |
|
|
*/ |
625 |
|
|
} |
626 |
|
|
finish{ |
627 |
|
|
ambient .2 |
628 |
|
|
diffuse .6 |
629 |
|
|
specular 1 |
630 |
|
|
roughness .001 |
631 |
|
|
metallic |
632 |
|
|
} |
633 |
|
|
} |
634 |
|
|
scale<myScale,myScale,ecc*myScale> |
635 |
|
|
rotate<myTheta,myPhi,myPsi> |
636 |
|
|
translate< x1_new, y1_new, z1_new> |
637 |
|
|
} |
638 |
|
|
#end |
639 |
|
|
#macro make_GBDP_vector (center_x, center_y, center_z, ux, uy, uz) |
640 |
|
|
|
641 |
|
|
#local vx = VECTOR_SCALE * ux; |
642 |
|
|
#local vy = VECTOR_SCALE * uy; |
643 |
|
|
#local vz = VECTOR_SCALE * uz; |
644 |
|
|
#local x1 = center_x - 0.5 * vx; |
645 |
|
|
#local y1 = center_y - 0.5 * vy; |
646 |
|
|
#local z1 = center_z - 0.5 * vz; |
647 |
|
|
#local x2 = center_x + 0.5 * vx; |
648 |
|
|
#local y2 = center_y + 0.5 * vy; |
649 |
|
|
#local z2 = center_z + 0.5 * vz; |
650 |
|
|
#local v2 = vx*vx + vy*vy + vz*vz; |
651 |
|
|
#local vl = sqrt(v2); |
652 |
|
|
#local x3 = x1 + vx * (1.0 - CONE_FRACTION); |
653 |
|
|
#local y3 = y1 + vy * (1.0 - CONE_FRACTION); |
654 |
|
|
#local z3 = z1 + vz * (1.0 - CONE_FRACTION); |
655 |
|
|
|
656 |
|
|
#if(ROTATE) |
657 |
|
|
#local x1_new = rotatePointX + A11 * (x1-rotatePointX) + A12 * (y1-rotatePointY) + A13 * (z1-rotatePointZ); |
658 |
|
|
#local y1_new = rotatePointY + A21 * (x1-rotatePointX) + A22 * (y1-rotatePointY) + A23 * (z1-rotatePointZ); |
659 |
|
|
#local z1_new = rotatePointZ + A31 * (x1-rotatePointX) + A32 * (y1-rotatePointY) + A33 * (z1-rotatePointZ); |
660 |
|
|
|
661 |
|
|
#local x2_new = rotatePointX + A11 * (x2-rotatePointX) + A12 * (y2-rotatePointY) + A13 * (z2-rotatePointZ); |
662 |
|
|
#local y2_new = rotatePointY + A21 * (x2-rotatePointX) + A22 * (y2-rotatePointY) + A23 * (z2-rotatePointZ); |
663 |
|
|
#local z2_new = rotatePointZ + A31 * (x2-rotatePointX) + A32 * (y2-rotatePointY) + A33 * (z2-rotatePointZ); |
664 |
|
|
|
665 |
|
|
#local x3_new = rotatePointX + A11 * (x3-rotatePointX) + A12 * (y3-rotatePointY) + A13 * (z3-rotatePointZ); |
666 |
|
|
#local y3_new = rotatePointY + A21 * (x3-rotatePointX) + A22 * (y3-rotatePointY) + A23 * (z3-rotatePointZ); |
667 |
|
|
#local z3_new = rotatePointZ + A31 * (x3-rotatePointX) + A32 * (y3-rotatePointY) + A33 * (z3-rotatePointZ); |
668 |
|
|
|
669 |
|
|
#else |
670 |
|
|
#local x1_new = x1; #local y1_new = y1; #local z1_new = z1; |
671 |
|
|
#local x2_new = x2; #local y2_new = y2; #local z2_new = z2; |
672 |
|
|
#local x3_new = x3; #local y3_new = y3; #local z3_new = z3; |
673 |
|
|
#end |
674 |
|
|
|
675 |
|
|
cylinder{ |
676 |
|
|
< x1_new, y1_new, z1_new >, |
677 |
|
|
< x3_new, y3_new, z3_new >, |
678 |
|
|
STICK_RADIUS |
679 |
|
|
texture{ |
680 |
|
|
pigment{ rgb < 1.000000, 0.078431, 0.576471 > } |
681 |
|
|
finish{ |
682 |
|
|
ambient .2 |
683 |
|
|
diffuse .6 |
684 |
|
|
specular 1 |
685 |
|
|
roughness .001 |
686 |
|
|
metallic |
687 |
|
|
} |
688 |
|
|
} |
689 |
|
|
} |
690 |
|
|
cone{ |
691 |
|
|
< x2_new, y2_new, z2_new >, 0.0 |
692 |
|
|
< x3_new, y3_new, z3_new >, CONE_RADIUS |
693 |
|
|
texture{ |
694 |
|
|
pigment{ rgb < 1.000000, 0.078431, 0.576471 > } |
695 |
|
|
finish{ |
696 |
|
|
ambient .2 |
697 |
|
|
diffuse .6 |
698 |
|
|
specular 1 |
699 |
|
|
roughness .001 |
700 |
|
|
metallic |
701 |
|
|
} |
702 |
|
|
} |
703 |
|
|
} |
704 |
|
|
#end |
705 |
|
|
|
706 |
|
|
|