def rename(zma, name_dct):
""" set coordinate names for the z-matrix
"""
syms = symbols(zma)
key_mat = key_matrix(zma)
val_mat = value_matrix(zma)
vma = vmat.rename(zma, name_dct)
name_mat = vmat.name_matrix(vma)
zma = automol.create.zmat.from_data(syms, key_mat, val_mat, name_mat)
return zma
def rename(zma, name_dct):
""" Rename a subset of the coordinates of a Z-Matrix.
:param zma: Z-Matrix
:type zma: automol Z-Matrix data structure
:param name_dct: mapping from old coordinate names to new ones
:type name_dct: dict[str: str]
:rtype: automol Z-Matrix data strucutre
"""
symbs = symbols(zma)
key_mat = key_matrix(zma)
val_mat = value_matrix(zma)
vma = vmat.rename(zma, name_dct)
name_mat = vmat.name_matrix(vma)
zma = from_data(symbs, key_mat, val_mat, name_mat)
return zma