From 99f52c9f2ae8c32752c0f0866c40260b1ac120ca Mon Sep 17 00:00:00 2001 From: Gabriel Studer <gabriel.studer@unibas.ch> Date: Fri, 29 Jul 2022 09:43:29 +0200 Subject: [PATCH] correct name blaming Dear rdkit developer, I owe you a beer --- modules/io/src/mol/sdf_writer.cc | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/modules/io/src/mol/sdf_writer.cc b/modules/io/src/mol/sdf_writer.cc index be5d7245c..ff14d0fd5 100644 --- a/modules/io/src/mol/sdf_writer.cc +++ b/modules/io/src/mol/sdf_writer.cc @@ -57,8 +57,8 @@ namespace { static String FormatEle(const String& ele) { // OpenStructure has no strict requirements on lower or upper case - // for elements. However, some sdf readers (read: rdkit) want the first - // character to upper case, the rest in lower case. + // for elements. However, some sdf readers (read: OpenBabel) want the + // first character to upper case, the rest in lower case. String return_ele = ele; if(!return_ele.empty()) return_ele[0] = toupper(return_ele[0]); for(size_t i = 1; i < return_ele.size(); ++i) { -- GitLab