int main() {
int array[5];
int array_length;
array_length = sizeof(array) / sizeof(int);
scanArray(array, array_length);
invertArray(array, array_length);
sortArray(array, array_length);
printf("\n");
return(0);
}
/* calc HKL from angles (in degrees) */
int angles_to_HKL(double angles_arg[4], double omtx_inv[3][3], double a0_inv[3][3],
double hkl[3]) {
double vec[3];
double r1[3][3], r2[3][3], r3[3][3], rot[3][3], rot_i[3][3];
double tmp[3][3];
double angles[4];
int i;
for (i=0; i<4; i++) angles[i] = angles_arg[i]*D2R;
vec[0] = sin(angles[TTH_INDEX]/2); vec[1] = 0; vec[2] = 0;
calc_rotZ(angles[TH_INDEX]-angles[TTH_INDEX]/2, r1);
if (orientDebug) printArray(r1, "angles_to_HKL:rotZ");
calc_rotY(angles[CHI_INDEX], r2);
if (orientDebug) printArray(r2, "angles_to_HKL:rotY");
calc_rotZ(angles[PHI_INDEX], r3);
if (orientDebug) printArray(r3, "angles_to_HKL:rotZ");
multArrayArray(r1, r2, rot);
multArrayArray(rot, r3, rot);
if (orientDebug) printArray(rot, "angles_to_HKL:rot");
if (invertArray(rot, rot_i)) {
if (orientDebug) {
printf("angles_to_HKL: can't invert rotation matrix\n");
printArray(rot, "rot");
}
hkl[0] = hkl[1] = hkl[2] = 0;
return(-1);
}
multArrayArray(a0_inv, omtx_inv, tmp);
if (orientDebug) printArray(tmp, "angles_to_HKL:a0_i X o_i");
multArrayArray(tmp, rot_i, tmp);
if (orientDebug) printArray(tmp, "angles_to_HKL:a0_i X o_i X rot_i");
multArrayVector(tmp, vec, hkl);
return(0);
}
/* Calculate orientation matrix */
int calc_OMTX(double v1_hkl[3], double v1_angles[4], double v2_hkl[3], double v2_angles[4],
double a0[3][3], double a0_i[3][3], double o[3][3], double o_i[3][3]) {
double v1p[3], v2p[3], v3p[3];
double v1pp[3], v2pp[3], v3pp[3];
double tmp[3];
double Vp[3][3], Vpp[3][3], Vpp_i[3][3];
double I[3][3] = {{1,0,0},{0,1,0},{0,0,1}};
int i, j;
if (orientDebug) {
printVector(v1_hkl, "calc_OMTX: v1_hkl");
print4Vector(v1_angles, "calc_OMTX: v1_angles");
printVector(v2_hkl, "calc_OMTX: v2_hkl");
print4Vector(v2_angles, "calc_OMTX: v2_angles");
printArray(a0, "calc_OMTX: a0\n");
}
/** calc Vp[3][3] **/
multArrayVector(a0, v1_hkl, v1p);
if (orientDebug) printVector(v1p, "calc_OMTX: v1p");
multArrayVector(a0, v2_hkl, tmp);
cross(v1p, tmp, v2p);
if (orientDebug) printVector(v2p, "calc_OMTX: v2p");
cross(v2p, v1p, v3p);
if (orientDebug) printVector(v3p, "calc_OMTX: v3p");
/* Vp array columns are v<i>p */
for (i=0; i<3; i++) {
Vp[0][i] = v1p[i];
Vp[1][i] = v2p[i];
Vp[2][i] = v3p[i];
}
if (orientDebug) printArray(Vp, "calc_OMTX: Vp\n");
/** calc Vpp[3][3] **/
angles_to_HKL(v1_angles, I, a0_i, v1pp);
multArrayVector(a0, v1pp, v1pp);
if (orientDebug) printVector(v1pp, "calc_OMTX: v1pp");
angles_to_HKL(v2_angles, I, a0_i, v2pp);
multArrayVector(a0, v2pp, v2pp);
if (orientDebug) printVector(v2pp, "calc_OMTX: A0 X HKL(v2)");
cross(v1pp, v2pp, v2pp);
if (orientDebug) printVector(v2pp, "calc_OMTX: v2pp");
cross(v2pp, v1pp, v3pp);
/* Vpp array columns are v<i>pp */
for (i=0; i<3; i++) {
Vpp[0][i] = v1pp[i];
Vpp[1][i] = v2pp[i];
Vpp[2][i] = v3pp[i];
}
if (orientDebug) printArray(Vp, "calc_OMTX: Vp");
if (invertArray(Vpp, Vpp_i)) {
if (orientDebug) {
printf("calc_OMTX: can't invert Vpp matrix\n");
printArray(Vpp, "Vpp");
}
goto error;
}
/** o = Vpp_i Vpp **/
multArrayArray(Vpp_i, Vp, o);
if (orientDebug) printArray(o, "calc_OMTX: OMTX");
if (invertArray(o, o_i)) {
if (orientDebug) {
printf("angles_to_HKL: can't invert OMTX\n");
printArray(o, "o");
}
goto error;
}
return(0);
error:
for (i=0; i<3; i++) {
for (j=0; j<3; j++) {
o[i][j] = o_i[i][j] = (i==j ? 1 : 0);
}
}
return(-1);
}
/*
* Calc A0 matrix from lattice parameters and wavelength, and return it as r[][].
* Lattice spacings a,b,c and wavelength lambda are in same (arbitrary) units.
* Lattice angles alpha, beta, gamma are in units of degrees.
*/
int calc_A0(double a, double b, double c,
double alpha_arg, double beta_arg, double gamma_arg,
double lambda, double r[3][3], double r_i[3][3]) {
double A[3], B[3], C[3];
double AxB[3], BxC[3], CxA[3];
double tmp;
double alpha = alpha_arg * D2R;
double beta = beta_arg * D2R;
double gamma = gamma_arg * D2R;
if (orientDebug) printf("calc_A0: a=%f,b=%f,c=%f,alpha=%f,beta=%f,gamma=%f,lambda=%f\n",
a,b,c,alpha,beta,gamma,lambda);
A[0] = a;
A[1] = 0;
A[2] = 0;
if (orientDebug) printVector(A, "calc_A0:A");
B[0] = b * cos(gamma);
B[1] = b * sin(gamma);
B[2] = 0;
if (orientDebug) printVector(B, "calc_A0:B");
tmp = (cos(alpha) - cos(beta)*cos(gamma))/sin(gamma);
C[0] = c * cos(beta);
C[1] = c * tmp;
C[2] = c * sqrt(1 - cos(beta)*cos(beta) - tmp*tmp);
if (orientDebug) printVector(C, "calc_A0:C");
/* r = factor * |BxC, CxA, AxB| */
tmp = lambda/(2 * dotcross(A,B,C));
if (orientDebug) printf("calc_A0: lambda/(2*AXB.C) = %f\n", tmp);
cross(A, B, AxB);
cross(B, C, BxC);
cross(C, A, CxA);
if (orientDebug) {
printVector(AxB, "calc_A0:AxB");
printVector(BxC, "calc_A0:BxC");
printVector(CxA, "calc_A0:CxA");
}
r[0][0] = tmp * BxC[0];
r[0][1] = tmp * CxA[0];
r[0][2] = tmp * AxB[0];
r[1][0] = tmp * BxC[1];
r[1][1] = tmp * CxA[1];
r[1][2] = tmp * AxB[1];
r[2][0] = tmp * BxC[2];
r[2][1] = tmp * CxA[2];
r[2][2] = tmp * AxB[2];
if (invertArray(r, r_i)) {
int i, j;
/* error */
if (orientDebug) {
printf("calc_A0: can't invert A0 matrix\n");
printArray(r, "A0");
}
for (i=0; i<3; i++) {
for (j=0; j<3; j++) {
r[i][j] = r_i[i][j] = (i==j ? 1 : 0);
}
}
return(-1);
}
return(0);
}
