should fix nans from contact angle in pmmc.h

This commit is contained in:
James McClure
2014-03-23 10:42:15 -04:00
parent d2eca269fb
commit 167c6bc2eb

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@@ -3605,51 +3605,57 @@ inline double pmmc_CubeContactAngle(DoubleArray &CubeValues, DoubleArray &CurveV
// double s,s1,s2,s3,temp;
double a,b,c,d,e,f,g,h;
double integral;
double magGradF,magGradS;
double length;
magGradF = sqrt(pow(Fx(i,j,k),2)+pow(Fy(i,j,k),2)+pow(Fz(i,j,k),2));
magGradS = sqrt(pow(Sx(i,j,k),2)+pow(Sy(i,j,k),2)+pow(Sz(i,j,k),2));
// theta = acos ( -(gradF*gradS) / (|gradF| |gradS|) )
CubeValues(0,0,0) = -( Fx(i,j,k)*Sx(i,j,k)+Fy(i,j,k)*Sy(i,j,k)+Fz(i,j,k)*Sz(i,j,k) )
/( sqrt(pow(Fx(i,j,k),2)+pow(Fy(i,j,k),2)+pow(Fz(i,j,k),2))
*sqrt(pow(Sx(i,j,k),2)+pow(Sy(i,j,k),2)+pow(Sz(i,j,k),2)) );
CubeValues(1,0,0) = -( Fx(i+1,j,k)*Sx(i+1,j,k)+Fy(i+1,j,k)*Sy(i+1,j,k)+Fz(i+1,j,k)*Sz(i+1,j,k) )
/( sqrt(pow(Fx(i+1,j,k),2)+pow(Fy(i+1,j,k),2)+pow(Fz(i+1,j,k),2))
*sqrt(pow(Sx(i+1,j,k),2)+pow(Sy(i+1,j,k),2)+pow(Sz(i+1,j,k),2)) );
CubeValues(0,1,0) = -( Fx(i,j+1,k)*Sx(i,j+1,k)+Fy(i,j+1,k)*Sy(i,j+1,k)+Fz(i,j+1,k)*Sz(i,j+1,k) )
/( sqrt(pow(Fx(i,j+1,k),2)+pow(Fy(i,j+1,k),2)+pow(Fz(i,j+1,k),2))
*sqrt(pow(Sx(i,j+1,k),2)+pow(Sy(i,j+1,k),2)+pow(Sz(i,j+1,k),2)) );
CubeValues(0,0,1) = -( Fx(i,j,k+1)*Sx(i,j,k+1)+Fy(i,j,k+1)*Sy(i,j,k+1)+Fz(i,j,k+1)*Sz(i,j,k+1) )
/( sqrt(pow(Fx(i,j,k+1),2)+pow(Fy(i,j,k+1),2)+pow(Fz(i,j,k+1),2))
*sqrt(pow(Sx(i,j,k+1),2)+pow(Sy(i,j,k+1),2)+pow(Sz(i,j,k+1),2)) );
CubeValues(1,1,0) = -( Fx(i+1,j+1,k)*Sx(i+1,j+1,k)+Fy(i+1,j+1,k)*Sy(i+1,j+1,k)+Fz(i+1,j+1,k)*Sz(i+1,j+1,k) )
/( sqrt(pow(Fx(i+1,j+1,k),2)+pow(Fy(i+1,j+1,k),2)+pow(Fz(i+1,j+1,k),2))
*sqrt(pow(Sx(i+1,j+1,k),2)+pow(Sy(i+1,j+1,k),2)+pow(Sz(i+1,j+1,k),2)) );
CubeValues(1,0,1) = -( Fx(i+1,j,k+1)*Sx(i+1,j,k+1)+Fy(i+1,j,k+1)*Sy(i+1,j,k+1)+Fz(i+1,j,k+1)*Sz(i+1,j,k+1) )
/( sqrt(pow(Fx(i+1,j,k+1),2)+pow(Fy(i+1,j,k+1),2)+pow(Fz(i+1,j,k+1),2))
*sqrt(pow(Sx(i+1,j,k+1),2)+pow(Sy(i+1,j,k+1),2)+pow(Sz(i+1,j,k+1),2)) );
CubeValues(0,1,1) = -( Fx(i,j+1,k+1)*Sx(i,j+1,k+1)+Fy(i,j+1,k+1)*Sy(i,j+1,k+1)+Fz(i,j+1,k+1)*Sz(i,j+1,k+1) )
/( sqrt(pow(Fx(i,j+1,k+1),2)+pow(Fy(i,j+1,k+1),2)+pow(Fz(i,j+1,k+1),2))
*sqrt(pow(Sx(i,j+1,k+1),2)+pow(Sy(i,j+1,k+1),2)+pow(Sz(i,j+1,k+1),2)) );
CubeValues(1,1,1) = -( Fx(i+1,j+1,k+1)*Sx(i+1,j+1,k+1)+Fy(i+1,j+1,k+1)*Sy(i+1,j+1,k+1)+Fz(i+1,j+1,k+1)*Sz(i+1,j+1,k+1) )
/( sqrt(pow(Fx(i+1,j+1,k+1),2)+pow(Fy(i+1,j+1,k+1),2)+pow(Fz(i+1,j+1,k+1),2))
*sqrt(pow(Sx(i+1,j+1,k+1),2)+pow(Sy(i+1,j+1,k+1),2)+pow(Sz(i+1,j+1,k+1),2)) );
// trilinear coefficients: f(x,y,z) = a+bx+cy+dz+exy+fxz+gyz+hxyz
// Evaluate the coefficients
a = CubeValues(0,0,0);
b = CubeValues(1,0,0)-a;
c = CubeValues(0,1,0)-a;
d = CubeValues(0,0,1)-a;
e = CubeValues(1,1,0)-a-b-c;
f = CubeValues(1,0,1)-a-b-d;
g = CubeValues(0,1,1)-a-c-d;
h = CubeValues(1,1,1)-a-b-c-d-e-f-g;
if ( magGradF*magGradS > 0.0){
CubeValues(0,0,0) = -( Fx(i,j,k)*Sx(i,j,k)+Fy(i,j,k)*Sy(i,j,k)+Fz(i,j,k)*Sz(i,j,k) )
/( sqrt(pow(Fx(i,j,k),2)+pow(Fy(i,j,k),2)+pow(Fz(i,j,k),2))
*sqrt(pow(Sx(i,j,k),2)+pow(Sy(i,j,k),2)+pow(Sz(i,j,k),2)) );
CubeValues(1,0,0) = -( Fx(i+1,j,k)*Sx(i+1,j,k)+Fy(i+1,j,k)*Sy(i+1,j,k)+Fz(i+1,j,k)*Sz(i+1,j,k) )
/( sqrt(pow(Fx(i+1,j,k),2)+pow(Fy(i+1,j,k),2)+pow(Fz(i+1,j,k),2))
*sqrt(pow(Sx(i+1,j,k),2)+pow(Sy(i+1,j,k),2)+pow(Sz(i+1,j,k),2)) );
CubeValues(0,1,0) = -( Fx(i,j+1,k)*Sx(i,j+1,k)+Fy(i,j+1,k)*Sy(i,j+1,k)+Fz(i,j+1,k)*Sz(i,j+1,k) )
/( sqrt(pow(Fx(i,j+1,k),2)+pow(Fy(i,j+1,k),2)+pow(Fz(i,j+1,k),2))
*sqrt(pow(Sx(i,j+1,k),2)+pow(Sy(i,j+1,k),2)+pow(Sz(i,j+1,k),2)) );
CubeValues(0,0,1) = -( Fx(i,j,k+1)*Sx(i,j,k+1)+Fy(i,j,k+1)*Sy(i,j,k+1)+Fz(i,j,k+1)*Sz(i,j,k+1) )
/( sqrt(pow(Fx(i,j,k+1),2)+pow(Fy(i,j,k+1),2)+pow(Fz(i,j,k+1),2))
*sqrt(pow(Sx(i,j,k+1),2)+pow(Sy(i,j,k+1),2)+pow(Sz(i,j,k+1),2)) );
CubeValues(1,1,0) = -( Fx(i+1,j+1,k)*Sx(i+1,j+1,k)+Fy(i+1,j+1,k)*Sy(i+1,j+1,k)+Fz(i+1,j+1,k)*Sz(i+1,j+1,k) )
/( sqrt(pow(Fx(i+1,j+1,k),2)+pow(Fy(i+1,j+1,k),2)+pow(Fz(i+1,j+1,k),2))
*sqrt(pow(Sx(i+1,j+1,k),2)+pow(Sy(i+1,j+1,k),2)+pow(Sz(i+1,j+1,k),2)) );
CubeValues(1,0,1) = -( Fx(i+1,j,k+1)*Sx(i+1,j,k+1)+Fy(i+1,j,k+1)*Sy(i+1,j,k+1)+Fz(i+1,j,k+1)*Sz(i+1,j,k+1) )
/( sqrt(pow(Fx(i+1,j,k+1),2)+pow(Fy(i+1,j,k+1),2)+pow(Fz(i+1,j,k+1),2))
*sqrt(pow(Sx(i+1,j,k+1),2)+pow(Sy(i+1,j,k+1),2)+pow(Sz(i+1,j,k+1),2)) );
CubeValues(0,1,1) = -( Fx(i,j+1,k+1)*Sx(i,j+1,k+1)+Fy(i,j+1,k+1)*Sy(i,j+1,k+1)+Fz(i,j+1,k+1)*Sz(i,j+1,k+1) )
/( sqrt(pow(Fx(i,j+1,k+1),2)+pow(Fy(i,j+1,k+1),2)+pow(Fz(i,j+1,k+1),2))
*sqrt(pow(Sx(i,j+1,k+1),2)+pow(Sy(i,j+1,k+1),2)+pow(Sz(i,j+1,k+1),2)) );
CubeValues(1,1,1) = -( Fx(i+1,j+1,k+1)*Sx(i+1,j+1,k+1)+Fy(i+1,j+1,k+1)*Sy(i+1,j+1,k+1)+Fz(i+1,j+1,k+1)*Sz(i+1,j+1,k+1) )
/( sqrt(pow(Fx(i+1,j+1,k+1),2)+pow(Fy(i+1,j+1,k+1),2)+pow(Fz(i+1,j+1,k+1),2))
*sqrt(pow(Sx(i+1,j+1,k+1),2)+pow(Sy(i+1,j+1,k+1),2)+pow(Sz(i+1,j+1,k+1),2)) );
for (p=0; p<npts; p++){
A = Points(p);
x = A.x-1.0*i;
y = A.y-1.0*j;
z = A.z-1.0*k;
CurveValues(p) = a + b*x + c*y+d*z + e*x*y + f*x*z + g*y*z + h*x*y*z;
// trilinear coefficients: f(x,y,z) = a+bx+cy+dz+exy+fxz+gyz+hxyz
// Evaluate the coefficients
a = CubeValues(0,0,0);
b = CubeValues(1,0,0)-a;
c = CubeValues(0,1,0)-a;
d = CubeValues(0,0,1)-a;
e = CubeValues(1,1,0)-a-b-c;
f = CubeValues(1,0,1)-a-b-d;
g = CubeValues(0,1,1)-a-c-d;
h = CubeValues(1,1,1)-a-b-c-d-e-f-g;
for (p=0; p<npts; p++){
A = Points(p);
x = A.x-1.0*i;
y = A.y-1.0*j;
z = A.z-1.0*k;
CurveValues(p) = a + b*x + c*y+d*z + e*x*y + f*x*z + g*y*z + h*x*y*z;
}
}
integral = 0.0;
@@ -3662,7 +3668,7 @@ inline double pmmc_CubeContactAngle(DoubleArray &CubeValues, DoubleArray &CurveV
// Compute the length of the segment
length = sqrt((A.x-B.x)*(A.x-B.x)+(A.y-B.y)*(A.y-B.y)+(A.z-B.z)*(A.z-B.z));
integral += 0.5*length*(vA + vB);
}
return integral;
}
//--------------------------------------------------------------------------------------------------------