pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-03 21:44:30 +08:00
Code Issues Packages Projects Releases Wiki Activity

MolAlign: brace-init BestAlignmentParams in wrapper (#9042)

Browse Source 
BestAlignmentParams is an aggregate; paren-init (T(...)) is rejected by Apple Clang (Xcode) and only works on some compilers.
Use brace-init (T{...}) for portable initialization.
This commit is contained in:
Yakov Pechersky
2026-01-08 01:31:22 -05:00
committed by greg landrum
parent 04901e7824
commit 2f26e34c25
1 changed files with 2 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp
View File

@@ -34,9 +34,9 @@ struct pyBestAlignmentParams : public BestAlignmentParams {
pyBestAlignmentParams(int maxMatches_, bool symmetrizeTerminalGroups_,
bool ignoreHs_, int numThreads_, python::object map_,
python::object weights_)
: BestAlignmentParams(maxMatches_, symmetrizeTerminalGroups_, ignoreHs_,
: BestAlignmentParams{maxMatches_, symmetrizeTerminalGroups_, ignoreHs_,
numThreads_, std::vector<MatchVectType>(),
nullptr) {
nullptr} {
unsigned int nAtms = 0;
if (map_ != python::object()) {
map = translateAtomMapSeq(map_);