You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
For repeated combination of molecules, there needs to be a simple function to call that takes the base molecule, list of indices, and list of attachments (indexed the same as the previous list). It would be nice to not have to build Calculation objects all the time to do this. Ideally this new function would be implemented in kappa.Calculation. We have a few choices:
alter _combine function to take single arguments or lists of arguments
write a new function that calls _combine repeatedly
some other way I forgot.
The text was updated successfully, but these errors were encountered:
For repeated combination of molecules, there needs to be a simple function to call that takes the base molecule, list of indices, and list of attachments (indexed the same as the previous list). It would be nice to not have to build Calculation objects all the time to do this. Ideally this new function would be implemented in kappa.Calculation. We have a few choices:
The text was updated successfully, but these errors were encountered: