From a52df4088ecf6a512b4174ef0d9bfee5f205602a Mon Sep 17 00:00:00 2001
From: Stefan Bienert <stefan.bienert@unibas.ch>
Date: Wed, 21 Sep 2011 11:32:36 +0200
Subject: [PATCH] Added unit test for multi model case in mmcif files
---
modules/io/src/mol/mmcif_reader.cc | 2 +-
modules/io/tests/test_mmcif_reader.cc | 25 +++++++++++++++++++++++++
2 files changed, 26 insertions(+), 1 deletion(-)
diff --git a/modules/io/src/mol/mmcif_reader.cc b/modules/io/src/mol/mmcif_reader.cc
index b97087878..37eb2caa6 100644
--- a/modules/io/src/mol/mmcif_reader.cc
+++ b/modules/io/src/mol/mmcif_reader.cc
@@ -147,7 +147,7 @@ bool MMCifParser::OnBeginLoop(const StarLoopDesc& header)
// post processing
if (category_counts_[category_] > 0) {
if ((has_model_ && (indices_[PDBX_PDB_MODEL_NUM] == -1))||
- (!has_model_ && (indices_[PDBX_PDB_MODEL_NUM] != -1))) { // unit test
+ (!has_model_ && (indices_[PDBX_PDB_MODEL_NUM] != -1))) {
throw IOException(this->FormatDiagnostic(STAR_DIAG_ERROR,
"Not all atom_site entries carry a model number.",
this->GetCurrentLinenum()));
diff --git a/modules/io/tests/test_mmcif_reader.cc b/modules/io/tests/test_mmcif_reader.cc
index 3d775f2a8..4362d4ce8 100644
--- a/modules/io/tests/test_mmcif_reader.cc
+++ b/modules/io/tests/test_mmcif_reader.cc
@@ -233,6 +233,31 @@ BOOST_AUTO_TEST_CASE(mmcif_parse_models)
}
BOOST_MESSAGE(" done.");
+ BOOST_MESSAGE(" testing single model with model no. entry...");
+ {
+ // build dummy header
+ mol::EntityHandle eh = mol::CreateEntity();
+ StarLoopDesc tmmcif_h;
+ TestMMCifParserProtected tmmcif_p("testfiles/mmcif/atom_site.mmcif", eh);
+ tmmcif_h.SetCategory(StringRef("atom_site", 9));
+ tmmcif_h.Add(StringRef("auth_asym_id", 12));
+ tmmcif_h.Add(StringRef("id", 2));
+ tmmcif_h.Add(StringRef("label_alt_id", 12));
+ tmmcif_h.Add(StringRef("label_asym_id", 13));
+ tmmcif_h.Add(StringRef("label_atom_id", 13));
+ tmmcif_h.Add(StringRef("label_comp_id", 13));
+ tmmcif_h.Add(StringRef("label_entity_id", 15));
+ tmmcif_h.Add(StringRef("label_seq_id", 12));
+ tmmcif_h.Add(StringRef("type_symbol", 11));
+ tmmcif_h.Add(StringRef("Cartn_x", 7));
+ tmmcif_h.Add(StringRef("Cartn_y", 7));
+ tmmcif_h.Add(StringRef("Cartn_z", 7));
+ tmmcif_p.OnBeginLoop(tmmcif_h);
+ tmmcif_h.Add(StringRef("pdbx_PDB_model_num", 18));
+ BOOST_CHECK_THROW(tmmcif_p.OnBeginLoop(tmmcif_h), IOException);
+ }
+ BOOST_MESSAGE(" done.");
+
BOOST_MESSAGE(" done.");
}
--
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