def xyz2sphericalR(xyz, offset, R): """ Calculate the spherical coordinates from indices """ rx = xyz[:, 0] - offset[0] idx = indices_fabs_le(rx, R) ry = xyz[idx, 1] - offset[1] ix = indices_fabs_le(ry, R) ry = ry[ix] idx = idx[ix] rz = xyz[idx, 2] - offset[2] ix = indices_fabs_le(rz, R) ry = ry[ix] rz = rz[ix] idx = idx[ix] if len(idx) == 0: return [], [], [], [] rx = rx[idx] # Calculate radius ** 2 ix = indices_le(rx**2 + ry**2 + rz**2, R**2) idx = idx[ix] if len(idx) == 0: return [], [], [], [] rx = rx[ix] ry = ry[ix] rz = rz[ix] xyz_to_spherical_cos_phi(rx, ry, rz) return idx, rx, ry, rz
def xyz2spherical(xyz, offset): """ Calculate the spherical coordinates from indices """ rx = xyz[:, 0] - offset[0] ry = xyz[:, 1] - offset[1] rz = xyz[:, 2] - offset[2] # Calculate radius ** 2 xyz_to_spherical_cos_phi(rx, ry, rz) return rx, ry, rz
def idx2spherical(ix, iy, iz, offset, dc, R): """ Calculate the spherical coordinates from indices """ rx = addouter(addouter(ix * dc[0, 0], iy * dc[1, 0]), iz * dc[2, 0] - offset[0]).ravel() ry = addouter(addouter(ix * dc[0, 1], iy * dc[1, 1]), iz * dc[2, 1] - offset[1]).ravel() rz = addouter(addouter(ix * dc[0, 2], iy * dc[1, 2]), iz * dc[2, 2] - offset[2]).ravel() # Total size of the indices n = rx.shape[0] # Reduce our arrays to where the radius is "fine" idx = indices_le(rx**2 + ry**2 + rz**2, R**2) rx = rx[idx] ry = ry[idx] rz = rz[idx] xyz_to_spherical_cos_phi(rx, ry, rz) return n, idx, rx, ry, rz