While playing around with something else today, I discovered that openeye's GetOrder on bonds only gives an integer so in aromatic systems it is either 1 or 2 not 1.5. I assume this is expected behavior for them, but it won't work with how I'm using bond order in this code so I need to fix it to set bond order to be 1.5 if the bond is aromatic so it won't match single or double bonds.
bannanc
commented
6 years ago
While playing around with something else today, I discovered that openeye's GetOrder on bonds only gives an integer so in aromatic systems it is either 1 or 2 not 1.5. I assume this is expected behavior for them, but it won't work with how I'm using bond order in this code so I need to fix it to set bond order to be 1.5 if the bond is aromatic so it won't match single or double bonds.