The function bonds returns information about the number
of bonds, charges and missing hydrogens in SDF and
SDFset objects. It is used by many other functions
(e.g. MW, MF,
atomcount, atomcuntMA and
plot) to correct for missing hydrogens that are often
not specified in SD files.
bonds(sdfset[[1]], type="bonds")[1:4,]
## atom Nbondcount Nbondrule charge
## 1 O 2 2 0
## 2 O 2 2 0
## 3 O 2 2 0
## 4 O 2 2 0
bonds(sdfset[1:2], type="charge")
## $CMP1
## NULL
##
## $CMP2
## NULL
bonds(sdfset[1:2], type="addNH")
## CMP1 CMP2
## 0 0