Skip to content

Commit

Permalink
#1303 Return original format
Browse files Browse the repository at this point in the history
Revert files commeted by mistake
  • Loading branch information
AliaksandrDziarkach committed Oct 10, 2023
1 parent 714c420 commit 2017b6c
Show file tree
Hide file tree
Showing 2 changed files with 1 addition and 2 deletions.
1 change: 0 additions & 1 deletion api/tests/integration/tests/formats/smarts.py
Original file line number Diff line number Diff line change
Expand Up @@ -115,4 +115,3 @@ def test_smarts_load_save(smarts_in):
test_smarts_load_save("[#9]/[#6]=[C]/[#17]")
test_smarts_load_save("[O;H]")
test_smarts_load_save("[!O;H]")
test_smarts_load_save("([#6]1-[#6]-[#6]-1.[#6])")
2 changes: 1 addition & 1 deletion core/indigo-core/molecule/src/smiles_saver.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -189,7 +189,7 @@ void SmilesSaver::_saveMolecule()
v_to_comp_group.resize(v_seq.size());
v_to_comp_group.fffill();

if (_qmol != nullptr && smarts_mode)
if (_qmol != nullptr && smarts_mode && _qmol->components.size() >= v_seq.size())
{
if (v_seq.size() < 1)
return; // No atoms to save
Expand Down

0 comments on commit 2017b6c

Please sign in to comment.