diff --git a/modules/io/src/mol/pdb_reader.cc b/modules/io/src/mol/pdb_reader.cc index 6f5ac46338c897c715bf8412019818d0639adcd9..be91fb54b5530413a1ccc3d51e51f8481c87b229 100644 --- a/modules/io/src/mol/pdb_reader.cc +++ b/modules/io/src/mol/pdb_reader.cc @@ -483,7 +483,8 @@ void PDBReader::AssignMolIds(mol::EntityHandle ent) { mol::ChainHandle chain=ent.FindChain(*chain_iterator); if (chain) { chain.SetIntProp("mol_id", compnd_iterator->mol_id); - } else { + }else{ + LOG_WARNING("failed to assign MOL_ID to chain: "<<*chain_iterator <<std::endl); std::stringstream ss; ss << "could not map COMPND record MOL_ID onto chain"; ss <<*chain_iterator; diff --git a/modules/io/tests/test_io_pdb.cc b/modules/io/tests/test_io_pdb.cc index da9efce0dcd4974f738f28d48247d6e91b2ccc32..47f858f8eb26f61b3e7e775c201fbbfd2d73f160 100644 --- a/modules/io/tests/test_io_pdb.cc +++ b/modules/io/tests/test_io_pdb.cc @@ -27,6 +27,8 @@ #include <ost/io/mol/entity_io_pdb_handler.hh> #include <ost/io/pdb_reader.hh> #include <ost/io/pdb_writer.hh> +#include <ost/log.hh> + #include <ost/io/io_exception.hh> #define BOOST_TEST_DYN_LINK #include <boost/test/unit_test.hpp> @@ -37,7 +39,6 @@ using namespace ost::io; BOOST_AUTO_TEST_SUITE( io ) - BOOST_AUTO_TEST_CASE(test_pdb_import_handler) { String fname("testfiles/test_in.pdb"); @@ -135,6 +136,8 @@ BOOST_AUTO_TEST_CASE(test_parse_compnd_record4) //COMPND CHAIN record misses B chain BOOST_AUTO_TEST_CASE(test_parse_compnd_record5) { + Logger::Instance().PushVerbosityLevel(0); + String fname("testfiles/pdb/1AKE_noBchain.pdb"); PDBReader reader(fname, IOProfile()); mol::EntityHandle ent=mol::CreateEntity(); @@ -152,6 +155,7 @@ BOOST_AUTO_TEST_CASE(test_parse_compnd_record5) //chain I in MOL_ID record but no chain I BOOST_AUTO_TEST_CASE(test_parse_compnd_record6) { + Logger::Instance().PushVerbosityLevel(0); String fname("testfiles/pdb/1oax.pdb"); PDBReader reader(fname, IOProfile()); mol::EntityHandle ent=mol::CreateEntity(); @@ -163,6 +167,7 @@ BOOST_AUTO_TEST_CASE(test_parse_compnd_record6) // has an empy MOLECULE record (unsupported ATM anyway, but crashed ost) BOOST_AUTO_TEST_CASE(test_parse_compnd_record7) { + Logger::Instance().PushVerbosityLevel(0); String fname("testfiles/pdb/2p6a.pdb"); PDBReader reader(fname, IOProfile()); mol::EntityHandle ent=mol::CreateEntity();