914 Why is the code InChI=123 valid (#1229)

epam · Aug 21, 2023 · 9c46ebd · 9c46ebd
1 parent 5fb2726
commit 9c46ebd
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Showing 14 changed files with 20 additions and 638 deletions.
diff --git a/api/c/tests/unit/tests/inchi.cpp b/api/c/tests/unit/tests/inchi.cpp
@@ -63,7 +63,7 @@ TEST_F(IndigoApiInchiTest, basic)
     }
     catch (const std::exception& e)
     {
-        ASSERT_STREQ("inchi-wrapper: Indigo-InChI: no structural data has been provided: . Code: -1.", e.what());
+        ASSERT_STREQ("inchi-wrapper: Wrong InChI format", e.what());
     }
 }
 
@@ -77,6 +77,20 @@ TEST_F(IndigoApiInchiTest, incorrect_symbols)
     }
     catch (const std::exception& e)
     {
-        ASSERT_STREQ("inchi-wrapper: Indigo-InChI: no structural data has been provided: (null). Code: -1.", e.what());
+        ASSERT_STREQ("inchi-wrapper: Wrong InChI format", e.what());
     }
-}
+}
+
+TEST_F(IndigoApiInchiTest, incorrect_symbols_123)
+{
+    try
+    {
+        const char* inchi = "InChI=123";
+        const auto m = indigoInchiLoadMolecule(inchi);
+        EXPECT_ANY_THROW(indigoInchiGetInchi(m));
+    }
+    catch (const std::exception& e)
+    {
+        ASSERT_STREQ("inchi-wrapper: Wrong InChI format", e.what());
+    }
+}
diff --git a/api/http/env/Scripts/Activate.ps1 b/api/http/env/Scripts/Activate.ps1
diff --git a/api/http/env/Scripts/activate b/api/http/env/Scripts/activate
diff --git a/api/http/env/Scripts/activate.bat b/api/http/env/Scripts/activate.bat
diff --git a/api/http/env/Scripts/deactivate.bat b/api/http/env/Scripts/deactivate.bat
diff --git a/api/http/env/Scripts/pip.exe b/api/http/env/Scripts/pip.exe
diff --git a/api/http/env/Scripts/pip3.11.exe b/api/http/env/Scripts/pip3.11.exe
diff --git a/api/http/env/Scripts/pip3.exe b/api/http/env/Scripts/pip3.exe
diff --git a/api/http/env/Scripts/py.test.exe b/api/http/env/Scripts/py.test.exe
diff --git a/api/http/env/Scripts/pytest.exe b/api/http/env/Scripts/pytest.exe
diff --git a/api/http/env/Scripts/python.exe b/api/http/env/Scripts/python.exe
diff --git a/api/http/env/Scripts/pythonw.exe b/api/http/env/Scripts/pythonw.exe
diff --git a/api/http/env/pyvenv.cfg b/api/http/env/pyvenv.cfg
diff --git a/core/indigo-core/molecule/src/inchi_wrapper.cpp b/core/indigo-core/molecule/src/inchi_wrapper.cpp
@@ -173,13 +173,13 @@ void InchiWrapper::loadMoleculeFromInchi(const char* inchi_string, Molecule& mol
         log.readString(inchi_output.szLog, true);
 
     if (retcode == inchi_Ret_EOF) /* no structural data has been provided */
-        throw Error("Indigo-InChI: no structural data has been provided: %s. Code: %d.", inchi_output.szMessage, retcode);
+        throw Error("Wrong InChI format");
 
     if (retcode == inchi_Ret_BUSY) /* Previuos call to InChI has not returned yet */
-        throw Error("Indigo-InChI: Previuos call to InChI has not returned yet: %s. Code: %d.", inchi_output.szMessage, retcode);
+        throw Error("Internal error parsing InChI string");
 
     if (retcode != inchi_Ret_OKAY && retcode != inchi_Ret_WARNING)
-        throw Error("Indigo-InChI: InChI loading failed: %s. Code: %d.", inchi_output.szMessage, retcode);
+        throw Error("Internal error parsing InChI string");
 
     // Check stereo options
     _stereo_opt = _STEREO_ABS;