The bonds are plotted with the mayavi function plot3d all seperately, i.e
for bond in bonds:
mayavi.plot3d(bond)
This however is quite slow because each time vtk magic has to be done by mayavi. It would be much better if connected bonds could be drawn with one function call of plot3d. The task is basically to take a graph of connected points, which is represented by a list of connections, e.g. [[1,2],[3,4],[2,6],[3,6]] and convert it to a list of longer connections in this case to [[1,2,6],[4,3,6]]. To close this issue you must write this function (warning this problem is NP hard you must probably use some heuristic non-optimal approach). I have already asked this question on stackexchange
JannickWeisshaupt
commented
6 years ago
The bonds are plotted with the mayavi function plot3d all seperately, i.e for bond in bonds: mayavi.plot3d(bond) This however is quite slow because each time vtk magic has to be done by mayavi. It would be much better if connected bonds could be drawn with one function call of plot3d. The task is basically to take a graph of connected points, which is represented by a list of connections, e.g. [[1,2],[3,4],[2,6],[3,6]] and convert it to a list of longer connections in this case to [[1,2,6],[4,3,6]]. To close this issue you must write this function (warning this problem is NP hard you must probably use some heuristic non-optimal approach). I have already asked this question on stackexchange