Change the crystal lattice and orientation of an sqw object or array of objects
Most commonly:
>> wout = change_crystal (w, rlu_corr) % change lattice parameters and orientation
OR
>> wout = change_crystal (w, alatt) % change just length of lattice vectors
>> wout = change_crystal (w, alatt, angdeg) % change all lattice parameters
>> wout = change_crystal (w, alatt, angdeg, rotmat) % change lattice parameters and orientation
>> wout = change_crystal (w, alatt, angdeg, u, v) % change lattice parameters and redefine u, v
Input:
-----
w Input sqw object
rlu_corr Matrix to convert notional rlu in the current crystal lattice to
the rlu in the the new crystal lattice together with any re-orientation
of the crystal. The matrix is defined by the matrix:
qhkl(i) = rlu_corr(i,j) * qhkl_0(j)
This matrix can be obtained from refining the lattice and
orientation with the function refine_crystal (type
>> help refine_crystal for more details).
*OR*
alatt New lattice parameters [a,b,c] (Angstroms)
angdeg New lattice angles [alf,bet,gam] (degrees)
rotmat Rotation matrix that relates crystal Cartesian coordinate frame of the new
lattice as a rotation of the current crystal frame. Orthonormal coordinates
in the two frames are related by
v_new(i)= rotmat(i,j)*v_current(j)
u, v Redefine the two vectors that were used to determine the scattering plane
These are the vectors at whatever misorientation angles dpsi, gl, gs (which
cannot be changed).
Output:
-------
wout Output sqw object with changed crystal lattice parameters and orientation
NOTE
The input data set(s) can be reset to their original orientation by inverting the
input data e.g.
- call with inv(rlu_corr)
- call with the original alatt, angdeg, u and v
% Overloaded methods:
sqw/change_crystal
sqw/change_crystal
d4d/change_crystal
d3d/change_crystal
d2d/change_crystal
d1d/change_crystal
d0d/change_crystal