aboutsummaryrefslogtreecommitdiff
path: root/inst/examples
diff options
context:
space:
mode:
Diffstat (limited to 'inst/examples')
-rw-r--r--inst/examples/caffeine.R3
-rw-r--r--inst/examples/octanol.R1
2 files changed, 1 insertions, 3 deletions
diff --git a/inst/examples/caffeine.R b/inst/examples/caffeine.R
index ab794ac..29a7e0b 100644
--- a/inst/examples/caffeine.R
+++ b/inst/examples/caffeine.R
@@ -1,4 +1,3 @@
-caffeine <- chent$new("caffeine", source = "pubchem")
+caffeine <- chent$new("caffeine")
print(caffeine)
-caffeine$get_rdkit()
plot(caffeine)
diff --git a/inst/examples/octanol.R b/inst/examples/octanol.R
index 91e23cf..3e42c38 100644
--- a/inst/examples/octanol.R
+++ b/inst/examples/octanol.R
@@ -1,4 +1,3 @@
oct <- chent$new("1-octanol", smiles = "CCCCCCCCO")
-oct$try_pubchem()
print(oct)
plot(oct)

Contact - Imprint