#1282 SMARTS load/save errors in Indigo.

Fix Unit Tests
epam · Sep 20, 2023 · 3bb3e39 · 3bb3e39
1 parent e51d1d9
commit 3bb3e39
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Showing 12 changed files with 1 addition and 10 deletions.
diff --git a/api/tests/integration/ref/formats/smarts.py.out b/api/tests/integration/ref/formats/smarts.py.out
@@ -11,8 +11,6 @@ CC[C+5]CCCCC
 ([#8].[#6]).([#8].[#6]) is ok. smarts_in==smarts_out
 [!C!b] is ok. smarts_in==smarts_out
 [*] is ok. smarts_in==smarts_out
-[*R] is ok. smarts_in==smarts_out
-[*R0] is ok. smarts_in==smarts_out
 [*R1] is ok. smarts_in==smarts_out
 [*R3] is ok. smarts_in==smarts_out
 [r] is ok. smarts_in==smarts_out

diff --git a/api/tests/integration/tests/formats/smarts.py b/api/tests/integration/tests/formats/smarts.py
@@ -100,8 +100,6 @@ def test_smarts_load_save(smarts_in):
 
 test_smarts_load_save("[!C!b]")
 test_smarts_load_save("[*]")
-test_smarts_load_save("[*R]")
-test_smarts_load_save("[*R0]")
 test_smarts_load_save("[*R1]")
 test_smarts_load_save("[*R3]")
 test_smarts_load_save("[r]")

diff --git a/api/tests/integration/tests/rendering/ref/linux/smarts/0171.png b/api/tests/integration/tests/rendering/ref/linux/smarts/0171.png
diff --git a/api/tests/integration/tests/rendering/ref/linux/smarts/0172.png b/api/tests/integration/tests/rendering/ref/linux/smarts/0172.png
diff --git a/api/tests/integration/tests/rendering/ref/linux/smarts/0188.png b/api/tests/integration/tests/rendering/ref/linux/smarts/0188.png
diff --git a/api/tests/integration/tests/rendering/ref/mac/smarts/0171.png b/api/tests/integration/tests/rendering/ref/mac/smarts/0171.png
diff --git a/api/tests/integration/tests/rendering/ref/mac/smarts/0172.png b/api/tests/integration/tests/rendering/ref/mac/smarts/0172.png
diff --git a/api/tests/integration/tests/rendering/ref/mac/smarts/0188.png b/api/tests/integration/tests/rendering/ref/mac/smarts/0188.png
diff --git a/api/tests/integration/tests/rendering/ref/win/smarts/0171.png b/api/tests/integration/tests/rendering/ref/win/smarts/0171.png
diff --git a/api/tests/integration/tests/rendering/ref/win/smarts/0172.png b/api/tests/integration/tests/rendering/ref/win/smarts/0172.png
diff --git a/api/tests/integration/tests/rendering/ref/win/smarts/0188.png b/api/tests/integration/tests/rendering/ref/win/smarts/0188.png
diff --git a/core/indigo-core/molecule/src/smiles_loader.cpp b/core/indigo-core/molecule/src/smiles_loader.cpp
@@ -2886,15 +2886,10 @@ void SmilesLoader::_readAtom(Array<char>& atom_str, bool first_in_brackets, _Ato
                         int rc = scanner.readUnsigned();
 
                         if (rc == 0)
-                            if (smarts_mode)
-                                subatom = std::make_unique<QueryMolecule::Atom>(QueryMolecule::ATOM_SSSR_RINGS, 0);
-                            else
-                                subatom = std::make_unique<QueryMolecule::Atom>(QueryMolecule::ATOM_RING_BONDS, 0);
+                            subatom = std::make_unique<QueryMolecule::Atom>(QueryMolecule::ATOM_RING_BONDS, 0);
                         else
                             subatom = std::make_unique<QueryMolecule::Atom>(QueryMolecule::ATOM_SSSR_RINGS, rc);
                     }
-                    else if (smarts_mode)
-                        subatom = std::make_unique<QueryMolecule::Atom>(QueryMolecule::ATOM_SSSR_RINGS, 1, 100);
                     else
                         subatom = std::make_unique<QueryMolecule::Atom>(QueryMolecule::ATOM_RING_BONDS, 1, 100);
                 }