pele.landscape.smoothPath

pele.landscape.smoothPath(path, mindist, density=5.0, interpolator=None)

return a smooth (interpolated) path

useful for making movies. Especially for min-ts-min pathways returned by DoubleEndedConnect.

Parameters:

pathlist of arrays

the pathway to smooth

mindistcallable

function that returns the mindist distance between two structures

dist, newcoords1, newcoords2 = mindist(coords1, coords2)

densityfloat, optional

how dense to do the smoothing.

interpolatorcallable, optional

allows to specify a custom interpolation routine (e.g. for angle axis)