From 26748e386a386f8459edb4f061012f099d34de7d Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Fri, 16 Oct 2015 15:35:33 +0200 Subject: Some improvements, especially in loading chyaml --- inst/examples/caffeine.R | 3 +-- inst/examples/octanol.R | 1 - 2 files changed, 1 insertion(+), 3 deletions(-) (limited to 'inst') 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) -- cgit v1.2.1