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authorJohannes Ranke <jranke@uni-bremen.de>2015-09-11 10:04:54 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2015-09-11 10:05:58 +0200
commit1df33dbb3d310f94ccddbf57906e12bd6fa93c3f (patch)
tree5d4d364836a0a847b74cee8c8c2bd88d7e6c94b4 /inst/examples
parent7cc5df2ad1e2a1aa5c6d4d9f5865491c6b30ee2a (diff)
Working version with basic functionality
Diffstat (limited to 'inst/examples')
-rw-r--r--inst/examples/chents.R3
1 files changed, 2 insertions, 1 deletions
diff --git a/inst/examples/chents.R b/inst/examples/chents.R
index 7fb3286..0309e2b 100644
--- a/inst/examples/chents.R
+++ b/inst/examples/chents.R
@@ -1,2 +1,3 @@
-oct <- chent$new("1-octanol")
+oct <- chent$new("1-octanol", smiles = "CCCCCCCCO")
+oct$try_pubchem()
print(oct)

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