diff --git a/modules/conop/src/compound_lib.cc b/modules/conop/src/compound_lib.cc index befb94b4a73bf618d1cd75ec25504cbad2ea6a1a..c84b0e9b7837036a66c737fc86c93d9d929bcf93 100644 --- a/modules/conop/src/compound_lib.cc +++ b/modules/conop/src/compound_lib.cc @@ -235,7 +235,7 @@ String CompoundLib::GetOSTVersionUsed() { } assert(SQLITE_DONE==sqlite3_step(stmt)); } else { - LOG_WARNING("your compound library might be outdated."); + LOG_ERROR(sqlite3_errmsg(db_->ptr)); sqlite3_finalize(stmt); return String(); } @@ -409,6 +409,16 @@ CompoundLibPtr CompoundLib::Load(const String& database, bool readonly) LOG_ERROR(sqlite3_errmsg(lib->db_->ptr)); return CompoundLibPtr(); } + + // Use ost_version as proxy if the loaded library has anything to do with + // what we expect. We don't check for supported version here. This is done + // later. + String ost_version_used = lib->GetOSTVersionUsed(); + if(ost_version_used == "") { + throw ost::Error("Could not read OST version from loaded SQLITE DB - " + "no valid CompoundLib"); + } + String aq; sqlite3_stmt* stmt; // check if SMILES are available