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| author | Johannes Ranke <jranke@uni-bremen.de> | 2015-10-16 15:35:33 +0200 |
|---|---|---|
| committer | Johannes Ranke <jranke@uni-bremen.de> | 2015-10-16 15:35:33 +0200 |
| commit | 26748e386a386f8459edb4f061012f099d34de7d (patch) | |
| tree | 554f7fb173a8e86b49c8be8711d68ea3fbad4d30 /inst | |
| parent | a892d1dc3c2a3724063f4d671f7f261ff5392884 (diff) | |
Some improvements, especially in loading chyaml
Diffstat (limited to 'inst')
| -rw-r--r-- | inst/examples/caffeine.R | 3 | ||||
| -rw-r--r-- | inst/examples/octanol.R | 1 |
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) |