mosdef-hub / mbuild

A hierarchical, component based molecule builder
https://mbuild.mosdef.org
Other
173 stars 81 forks source link

When Alkane(n=2, cap_front=False, cap_end=False) the output is n=1 #1068

Closed jaclark5 closed 1 year ago

jaclark5 commented 1 year ago

Bug summary

When Alkane(n=2, cap_front=False, cap_end=False) the output is Alkane(n=1, cap_front=False, cap_end=False)

Code to reproduce the behavior

import mbuild as mb
c2h4 = mb.recipes.Alkane(n=2, cap_front=False, cap_end=False)
c2h4.visualize(show_ports=True)

Software versions