def calc_fit_R(weights,atomsvec1,atomsvec2,natoms=None,dimensions=3,mtx=None):
if mNumPy:
if natoms==None:
if not len(weights)==len(atomsvec1)==len(atomsvec2):
raise TypeError("Array dimension don't match")
natoms=len(weights)
if mtx==None: mtx = N.empty((3,3),N_real)
else:
if mtx==None: mtx = matrix()
libgmx.calc_fit_R(dimensions,natoms,weights,atomsvec1,atomsvec2,mtx)
return mtx
def calc_fit_R(weights,
atomsvec1,
atomsvec2,
natoms=None,
dimensions=3,
mtx=None):
if mNumPy:
if natoms == None:
if not len(weights) == len(atomsvec1) == len(atomsvec2):
raise TypeError("Array dimension don't match")
natoms = len(weights)
if mtx == None: mtx = N.empty((3, 3), N_real)
else:
if mtx == None: mtx = matrix()
libgmx.calc_fit_R(dimensions, natoms, weights, atomsvec1, atomsvec2, mtx)
return mtx
def calc_fit_R(natoms,weights,atomsvec1,atomsvec2,dimensions=3):
mtx = matrix()
libgmx.calc_fit_R(dimensions,natoms,weights,atomsvec1,atomsvec2,mtx)
return mtx
def calc_fit_R(natoms, weights, atomsvec1, atomsvec2, dimensions=3):
mtx = matrix()
libgmx.calc_fit_R(dimensions, natoms, weights, atomsvec1, atomsvec2, mtx)
return mtx
