Commit 8d7d9d3a by Maarten L. Hekkelman

Fix for PDB files that do not terminate their last line with a new line character

parent 078bf8a5
......@@ -1170,6 +1170,8 @@ void PDBFileParser::PreParseInput(std::istream &is)
std::string value;
if (lookahead.length() > 6)
value = cif::trim_right_copy(lookahead.substr(6));
lookahead.clear();
uint32_t curLineNr = lineNr;
getline(is, lookahead);
......
......@@ -3161,3 +3161,49 @@ BOOST_AUTO_TEST_CASE(compound_test_1)
BOOST_ASSERT(compound != nullptr);
BOOST_CHECK(compound->id() == "REA_v2");
}
// --------------------------------------------------------------------
BOOST_AUTO_TEST_CASE(pdb_parser_test_1)
{
char k1CBS[] = R"(HEADER RETINOIC-ACID TRANSPORT 28-SEP-94 1CBS
TITLE CRYSTAL STRUCTURE OF CELLULAR RETINOIC-ACID-BINDING
TITLE 2 PROTEINS I AND II IN COMPLEX WITH ALL-TRANS-RETINOIC ACID
TITLE 3 AND A SYNTHETIC RETINOID
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 CELL_LINE: BL21;
SOURCE 6 GENE: HUMAN CRABP-II;
SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET-3A
KEYWDS RETINOIC-ACID TRANSPORT
EXPDTA X-RAY DIFFRACTION
AUTHOR G.J.KLEYWEGT,T.BERGFORS,T.A.JONES
ATOM 1 N PRO A 1 16.979 13.301 44.555 1.00 30.05 N
ATOM 2 CA PRO A 1 18.150 13.525 43.680 1.00 28.82 C
ATOM 3 C PRO A 1 18.656 14.966 43.784 1.00 26.59 C
ATOM 4 O PRO A 1 17.890 15.889 44.078 1.00 26.84 O
ATOM 5 CB PRO A 1 17.678 13.270 42.255 1.00 29.24 C
ATOM 6 CG PRO A 1 16.248 13.734 42.347 1.00 29.29 C
ATOM 7 CD PRO A 1 15.762 13.216 43.724 1.00 30.71 C)";
struct membuf : public std::streambuf
{
membuf(char *text, size_t length)
{
this->setg(text, text, text + length);
}
} buffer(k1CBS, sizeof(k1CBS) - 1);
std::istream is(&buffer);
auto f = cif::pdb::read(is);
}
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