const real PI = 3.14159265358979323846f; // Compute the first angle. real4 v0a = (real4) (pos1.xyz-pos2.xyz, 0.0f); real4 v1a = (real4) (pos3.xyz-pos2.xyz, 0.0f); real4 v2a = (real4) (pos3.xyz-pos4.xyz, 0.0f); real4 cp0a = cross(v0a, v1a); real4 cp1a = cross(v1a, v2a); real cosangle = dot(normalize(cp0a), normalize(cp1a)); real angleA; if (cosangle > 0.99f || cosangle < -0.99f) { // We're close to the singularity in acos(), so take the cross product and use asin() instead. real4 cross_prod = cross(cp0a, cp1a); real scale = dot(cp0a, cp0a)*dot(cp1a, cp1a); angleA = asin(SQRT(dot(cross_prod, cross_prod)/scale)); if (cosangle < 0.0f) angleA = PI-angleA; } else angleA = acos(cosangle); angleA = (dot(v0a, cp1a) >= 0 ? angleA : -angleA); angleA = fmod(angleA+2.0f*PI, 2.0f*PI); // Compute the second angle. real4 v0b = (real4) (pos5.xyz-pos6.xyz, 0.0f); real4 v1b = (real4) (pos7.xyz-pos6.xyz, 0.0f); real4 v2b = (real4) (pos7.xyz-pos8.xyz, 0.0f); real4 cp0b = cross(v0b, v1b); real4 cp1b = cross(v1b, v2b); cosangle = dot(normalize(cp0b), normalize(cp1b)); real angleB; if (cosangle > 0.99f || cosangle < -0.99f) { // We're close to the singularity in acos(), so take the cross product and use asin() instead. real4 cross_prod = cross(cp0b, cp1b); real scale = dot(cp0b, cp0b)*dot(cp1b, cp1b); angleB = asin(SQRT(dot(cross_prod, cross_prod)/scale)); if (cosangle < 0.0f) angleB = PI-angleB; } else angleB = acos(cosangle); angleB = (dot(v0b, cp1b) >= 0 ? angleB : -angleB); angleB = fmod(angleB+2.0f*PI, 2.0f*PI); // Identify which patch this is in. int2 pos = MAP_POS[MAPS[index]]; int size = pos.y; real delta = 2*PI/size; int s = (int) (angleA/delta); int t = (int) (angleB/delta); float4 c[4]; int coeffIndex = pos.x+4*(s+size*t); c[0] = COEFF[coeffIndex]; c[1] = COEFF[coeffIndex+1]; c[2] = COEFF[coeffIndex+2]; c[3] = COEFF[coeffIndex+3]; real da = angleA/delta-s; real db = angleB/delta-t; // Evaluate the spline to determine the energy and gradients. real torsionEnergy = 0.0f; real dEdA = 0.0f; real dEdB = 0.0f; torsionEnergy = da*torsionEnergy + ((c[3].w*db + c[3].z)*db + c[3].y)*db + c[3].x; dEdA = db*dEdA + (3.0f*c[3].w*da + 2.0f*c[2].w)*da + c[1].w; dEdB = da*dEdB + (3.0f*c[3].w*db + 2.0f*c[3].z)*db + c[3].y; torsionEnergy = da*torsionEnergy + ((c[2].w*db + c[2].z)*db + c[2].y)*db + c[2].x; dEdA = db*dEdA + (3.0f*c[3].z*da + 2.0f*c[2].z)*da + c[1].z; dEdB = da*dEdB + (3.0f*c[2].w*db + 2.0f*c[2].z)*db + c[2].y; torsionEnergy = da*torsionEnergy + ((c[1].w*db + c[1].z)*db + c[1].y)*db + c[1].x; dEdA = db*dEdA + (3.0f*c[3].y*da + 2.0f*c[2].y)*da + c[1].y; dEdB = da*dEdB + (3.0f*c[1].w*db + 2.0f*c[1].z)*db + c[1].y; torsionEnergy = da*torsionEnergy + ((c[0].w*db + c[0].z)*db + c[0].y)*db + c[0].x; dEdA = db*dEdA + (3.0f*c[3].x*da + 2.0f*c[2].x)*da + c[1].x; dEdB = da*dEdB + (3.0f*c[0].w*db + 2.0f*c[0].z)*db + c[0].y; dEdA /= delta; dEdB /= delta; energy += torsionEnergy; // Apply the force to the first torsion. real normCross1 = dot(cp0a, cp0a); real normSqrBC = dot(v1a, v1a); real normBC = SQRT(normSqrBC); real normCross2 = dot(cp1a, cp1a); real dp = 1.0f/normSqrBC; real4 ff = (real4) ((-dEdA*normBC)/normCross1, dot(v0a, v1a)*dp, dot(v2a, v1a)*dp, (dEdA*normBC)/normCross2); real4 force1 = ff.x*cp0a; real4 force4 = ff.w*cp1a; real4 d = ff.y*force1 - ff.z*force4; real4 force2 = d-force1; real4 force3 = -d-force4; // Apply the force to the second torsion. normCross1 = dot(cp0b, cp0b); normSqrBC = dot(v1b, v1b); normBC = SQRT(normSqrBC); normCross2 = dot(cp1b, cp1b); dp = 1.0f/normSqrBC; ff = (real4) ((-dEdB*normBC)/normCross1, dot(v0b, v1b)*dp, dot(v2b, v1b)*dp, (dEdB*normBC)/normCross2); real4 force5 = ff.x*cp0b; real4 force8 = ff.w*cp1b; d = ff.y*force5 - ff.z*force8; real4 force6 = d-force5; real4 force7 = -d-force8;