op_xyz_to_matrix | R Documentation |
Returns a 3\times 3
matrix and 3\times 1
vector corresponding to either a
symmetry operator or a centering operator in human-readable, string form.
op_xyz_to_matrix(op_xyz)
op_xyz |
A symmetry or centering operation in the form of a human-readable string, e.g. -x+1/2,-y,z+1/2'. |
A string describing a symmetry or a centering operation has a format similar to, for instance, '-x+1/2,-y,z+1/2'. Such a string corresponds to the symmetry operation represented mathematically by the following matrix and vector:
\left(\begin{array}{rrr}
-1 & 0 & 0 \\
0 & -1 & 0 \\
0 & 0 & 1
\end{array}\right)\quad,\quad
\left(\begin{array}{r}
1/2 \\
0 \\
1/2
\end{array}\right)
Where symmetry operations in human-readable form are useful for the subjective reasoning in crystallography, their mathematical counterpart is needed for all practical calculations.
mat_ops A named list including a 3\times 3
matrix 'R' and a
3\times 1
vector 'T'.
# Reflection and translation
sop <- '-x,y+1/2,z'
mat_ops <- op_xyz_to_matrix(sop)
print(mat_ops)
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