Not displaying charges

[sneumann]

Hi,
I am back to using rCDK for some stuff, and there are some display issues
in the current release. Here are some test cases, most by Emma:

library(rcdk)
m <- parse.smiles("[CH2+]")[[1]]
get.total.charge(m)
view.molecule.2d(m)

As the screenshots show, there is no + charge:

rcdklibs_1.5.4 , rcdk_3.2.4

[rajarshi]

This is a CDK bug, so will have to wait till it's fixed there

[sneumann]

Hi, while the above code does not work as-is (see #45 ),
via view.image.2d() I was able to confirm that charges are shown now
with rcdk-3.4.1:

m <- parse.smiles("[CH2+]")[[1]]
plot(c(0, 200), c(0, 200), type = "n", xlab = "", ylab = "")
rasterImage(view.image.2d(m), 0, 0, 200, 200)