From 1f4d1f566657ac551468bfa400a3c5e01d232316 Mon Sep 17 00:00:00 2001
From: marco <marco@5a81b35b-ba03-0410-adc8-b2c5c5119f08>
Date: Sun, 18 Apr 2010 07:49:45 +0000
Subject: [PATCH] unit test for parsing atom record
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2038 5a81b35b-ba03-0410-adc8-b2c5c5119f08
---
modules/io/tests/test_io_pdb.cc | 35 ++++++++++++++++++++++++-
modules/io/tests/testfiles/pdb/atom.pdb | 2 ++
2 files changed, 36 insertions(+), 1 deletion(-)
create mode 100644 modules/io/tests/testfiles/pdb/atom.pdb
diff --git a/modules/io/tests/test_io_pdb.cc b/modules/io/tests/test_io_pdb.cc
index 7aa38875c..8ae918f4f 100644
--- a/modules/io/tests/test_io_pdb.cc
+++ b/modules/io/tests/test_io_pdb.cc
@@ -28,7 +28,8 @@ using namespace ost::io;
BOOST_AUTO_TEST_SUITE( io )
-BOOST_AUTO_TEST_CASE(test_io_pdb)
+
+BOOST_AUTO_TEST_CASE(test_pdb_import_handler)
{
String fname("testfiles/test_in.pdb");
@@ -46,6 +47,38 @@ BOOST_AUTO_TEST_CASE(test_io_pdb)
pdbh.Import(eh,"testfiles/pdb/simple.pdb");
}
+BOOST_AUTO_TEST_CASE(atom_record)
+{
+ String fname("testfiles/pdb/atom.pdb");
+ PDBReader reader(fname);
+ mol::EntityHandle ent=mol::CreateEntity();
+ reader.Import(ent);
+ BOOST_REQUIRE_EQUAL(ent.GetChainCount(), 2);
+ BOOST_REQUIRE_EQUAL(ent.GetResidueCount(), 2);
+ BOOST_REQUIRE_EQUAL(ent.GetAtomCount(), 2);
+ mol::AtomHandle a1=ent.FindChain("A").GetAtomList()[0];
+ BOOST_CHECK_EQUAL(a1.GetName(), "N");
+ BOOST_CHECK_EQUAL(a1.GetResidue().GetName(), "MET");
+ BOOST_CHECK_EQUAL(a1.GetResidue().GetChain().GetName(), "A");
+
+ BOOST_CHECK_EQUAL(a1.GetPos(), geom::Vec3(16.0, 64.0, 8.0));
+ BOOST_CHECK_EQUAL(a1.GetProp().b_factor, 1.0);
+ BOOST_CHECK_EQUAL(a1.GetProp().occupancy, 0.5);
+ BOOST_CHECK_EQUAL(a1.GetProp().element, "N");
+ BOOST_CHECK_EQUAL(a1.GetProp().is_hetatm, false);
+ mol::AtomHandle a2=ent.FindChain(" ").GetAtomList()[0];
+ BOOST_CHECK_EQUAL(a2.GetName(), "CA");
+ BOOST_CHECK_EQUAL(a2.GetResidue().GetName(), "MET");
+ BOOST_CHECK_EQUAL(a2.GetResidue().GetChain().GetName(), " ");
+
+ BOOST_CHECK_EQUAL(a2.GetPos(), geom::Vec3(32.0, -128.0, -2.5));
+ BOOST_CHECK_EQUAL(a2.GetProp().b_factor, 128.0);
+ BOOST_CHECK_EQUAL(a2.GetProp().occupancy, 1.0);
+ BOOST_CHECK_EQUAL(a2.GetProp().element, "C");
+ BOOST_CHECK_EQUAL(a2.GetProp().is_hetatm, true);
+
+}
+
BOOST_AUTO_TEST_CASE(join_spread_records_on)
{
String fname("testfiles/pdb/join-spread-records.pdb");
diff --git a/modules/io/tests/testfiles/pdb/atom.pdb b/modules/io/tests/testfiles/pdb/atom.pdb
new file mode 100644
index 000000000..164bec413
--- /dev/null
+++ b/modules/io/tests/testfiles/pdb/atom.pdb
@@ -0,0 +1,2 @@
+ATOM 1 N MET A 1 16.000 64.000 8.000 0.50 1.00 N
+HETATM 2 CA MET 1 32.000-128.000 -2.500 1.00128.00 C
\ No newline at end of file
--
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