overreact/coords.py
def _update_improper_axes(
    n, ax, axes, atomcoords, groups, rtol, atol, normalize=False  # found axes
):
    """Update axes with ax and return it.

    Helper function for _get_improper_axes.
    """
    if normalize:
        norm = np.linalg.norm(ax)
        if np.isclose(norm, 0.0, rtol=rtol, atol=atol):
            return axes
        ax = ax / norm

    for order in [2 * n, n]:
        if all(
            _is_symmetric(
                atomcoords[group],
                _operation("s", order=order, axis=ax),
                rtol=rtol,
                atol=atol,
            )
            for group in groups[::-1]
        ):
            axes.append((order, tuple(ax)))
            break

    return axes
Update axes with ax and return it.

    Helper function for _get_improper_axes.
    
Update axes with ax and return it.
Helper function for _get_improper_axes.
Update axes with ax and return it . Helper function for _get_improper_axes .
def _update_improper_axes(
    n, ax, axes, atomcoords, groups, rtol, atol, normalize=False  
):
    if normalize:
        norm = np.linalg.norm(ax)
        if np.isclose(norm, 0.0, rtol=rtol, atol=atol):
            return axes
        ax = ax / norm
    for order in [2 * n, n]:
        if all(
            _is_symmetric(
                atomcoords[group],
                _operation("s", order=order, axis=ax),
                rtol=rtol,
                atol=atol,
            )
            for group in groups[::-1]
        ):
            axes.append((order, tuple(ax)))
            break
    return axes
def _update_improper_axes ( n , ax , axes , atomcoords , groups , rtol , atol , normalize = False ) : if normalize : norm = np . linalg . norm ( ax ) if np . isclose ( norm , 0.0 , rtol = rtol , atol = atol ) : return axes ax = ax / norm for order in [ 2 * n , n ] : if all ( _is_symmetric ( atomcoords [ group ] , _operation ( "s" , order = order , axis = ax ) , rtol = rtol , atol = atol , ) for group in groups [ : : - 1 ] ) : axes . append ( ( order , tuple ( ax ) ) ) break return axes
Update axes with ax and return it.
Update axes with ax and return it .
# found axes """Update axes with ax and return it.

    Helper function for _get_improper_axes.
    """
n
ax
axes
atomcoords
groups
rtol
atol
normalize