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schwede
openstructure
Commits
99f52c9f
Commit
99f52c9f
authored
2 years ago
by
Studer Gabriel
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correct name blaming
Dear rdkit developer, I owe you a beer
parent
080bbfa6
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modules/io/src/mol/sdf_writer.cc
+2
-2
2 additions, 2 deletions
modules/io/src/mol/sdf_writer.cc
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modules/io/src/mol/sdf_writer.cc
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View file @
99f52c9f
...
...
@@ -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
)
{
...
...
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