Issues with the molnet function
Pacifisten opened this issue · comments
The function molnet requires choosing as compDisMat the underlying object $fingerDisMat if not it doesn't work
and molnetplot requires selecting in networkObject the underlying object $networkObject
For molNet this is intentional since the output of compDis is a list that can contain more than one matrix. The user then has to specify which matrix to use as input. For molNetPlot, input was structured to be similar as for molNet for consistency. Input format is explained in the function documentation for molNetPlot, but less so for molNet. I will update this to be more clear.
I could modify functions to also accept the whole lists as input, in cases where that is suitable. Is there a need for this (e.g. use cases when the current design of the input/output of functions causes problems)?
Sorry was on paternal leave, back to code :).
I think if the input is the one generated from the previous method it make sense that it should not be specified for a single item generated from the previous step.
Will try the new version on a very large set of molecules! Keep up the good work!