/// Constructor from a rotation matrix
/// @param rot :: DblMatrix matrix that is going to be the internal rotation
/// matrix of the goniometer. Cannot push additional axes
Goniometer::Goniometer(DblMatrix rot) {
DblMatrix ide(3, 3), rtr(3, 3);
rtr = rot.Tprime() * rot;
ide.identityMatrix();
if (rtr == ide) {
R = rot;
initFromR = true;
} else
throw std::invalid_argument("rot is not a rotation matrix");
}
/** Sets the UB matrix and recalculates lattice parameters
@param newUB :: the new UB matrix*/
void OrientedLattice::setUB(const DblMatrix &newUB) {
if (UB.determinant() > 0) {
UB = newUB;
DblMatrix newGstar, B;
newGstar = newUB.Tprime() * newUB;
this->recalculateFromGstar(newGstar);
B = this->getB();
B.Invert();
U = newUB * B;
} else
throw std::invalid_argument("determinant of UB is not greater than 0");
}
/** Sets the UB matrix and recalculates lattice parameters
@param newUB :: the new UB matrix*/
void OrientedLattice::setUB(const DblMatrix &newUB) {
// check if determinant is close to 0. The 1e-10 value is arbitrary
if (std::fabs(newUB.determinant()) > 1e-10) {
UB = newUB;
DblMatrix newGstar, B;
newGstar = newUB.Tprime() * newUB;
this->recalculateFromGstar(newGstar);
B = this->getB();
B.Invert();
U = newUB * B;
} else
throw std::invalid_argument("determinant of UB is too close to 0");
}