From 87f9c5315c751896c2eef1fdbe8f93c5b151577e Mon Sep 17 00:00:00 2001
From: Johannes Ranke <jranke@uni-bremen.de>
Date: Tue, 19 Feb 2019 16:02:19 +0100
Subject: Start using travis and update a test

It seems the canonical SMILES for glyphosate on PubChem has dropped the
designation of the two charges
---
 R/chent.R | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

(limited to 'R')

diff --git a/R/chent.R b/R/chent.R
index abe96a2..941b430 100644
--- a/R/chent.R
+++ b/R/chent.R
@@ -270,13 +270,13 @@ chent <- R6Class("chent",
       attr(self$PUF, "remark") <- remark
     },
     TPs = list(),
-    add_TP = function(x, smiles = NULL) {
+    add_TP = function(x, smiles = NULL, pubchem = FALSE) {
       if (inherits(x, "chent")) {
         id <- names(x$identifier)
         chent <- x
       } else {
         id <- make.names(x)
-        chent <- chent$new(x, smiles)
+        chent <- chent$new(x, smiles, pubchem = pubchem)
       }
       self$TPs[[id]] <- chent
     },
-- 
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