def Reorient(self, hkl1, pos1, hkl2, pos2):
"""Calculate orientation matrix from two indexed positions.
hkl1: index of reflection 1
pos1: position of reflection 1 (goniometer.position object)
hkl2: index of reflection 2
pos2: position of reflection 2
"""
gmat = self.cell.CMatrix()
cv_h1 = self.cell.CVector(hkl1)
cv_h2 = self.cell.CVector(hkl2)
cv_p1 = np.array(pos1.asC().c)
cv_p2 = np.array(pos2.asC().c)
bmat = _norm(complete_matrix(cv_p1, cv_p2))
amat = _norm(complete_matrix(cv_h1, cv_h2))
amat_i = np.linalg.inv(amat)
temp = np.dot(bmat, amat_i)
omat_t = np.dot(temp, gmat)
omat = np.transpose(omat_t)
cell = SXTalCell(omat)
return cell
def get_new_cell(p):
# reconstruct UB matrix
Umat = Zrot(-p.phi).dot(Yrot(-p.theta)).dot(Xrot(-p.psi))
Bmat = matrixfromcell(p.a, p.b, p.c, p.alpha, p.beta, p.gamma)
return SXTalCell(Umat.dot(Bmat).T)