Home > Applications > Horace > @d0d > change_crystal.m

# iFit/change_crystal

## PURPOSE

Change the crystal lattice and orientation of a d0d object or array of objects

## SYNOPSIS

function varargout = change_crystal (varargin)

## DESCRIPTION

``` Change the crystal lattice and orientation of a d0d 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

Input:
-----
w           Input d0d 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)

Output:
-------
wout        Output d0d 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)```

## CROSS-REFERENCE INFORMATION

This function calls:
• change_crystal Change the crystal lattice and orientation of a d0d object or array of objects
• sqw Convert input dnd-type object into sqw object
This function is called by:
• change_crystal Change the crystal lattice and orientation of a d0d object or array of objects

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