loading rinchi first causes errors

CDK-R / cdkr

Integrating R and the CDK

https://cdk-r.github.io/cdkr/

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loading rinchi first causes errors #62

Closed stanstrup closed 6 years ago

stanstrup commented 6 years ago

Loading rinchi first causes the following error. If I load rcdk first all works.

library(rinchi)
library(rcdk)

Loading required package: rcdklibs
Loading required package: rJava
Warning messages:
1: package ‘rcdk’ was built under R version 3.4.3 
2: package ‘rcdklibs’ was built under R version 3.4.3

> m <- parse.smiles('C1C=CCC1N(C)c1ccccc1')[[1]]
> get.smiles(m)
Error in .jnew("org/openscience/cdk/smiles/SmilesGenerator", flavor) : 
  java.lang.NoSuchMethodError: <init>

rajarshi commented 6 years ago

Hmm, this is weird. I'll look into it

rajarshi commented 6 years ago

The latest version (0.5) in Github fixes this issue (and now requires rcdk as a dependency)