From 6f1e9cb3b05f280ce6a9490719d8279d528c1512 Mon Sep 17 00:00:00 2001
From: marco <marco@5a81b35b-ba03-0410-adc8-b2c5c5119f08>
Date: Tue, 11 May 2010 14:27:37 +0000
Subject: [PATCH] fixes to run unit tests on login nodes
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2238 5a81b35b-ba03-0410-adc8-b2c5c5119f08
---
modules/bindings/tests/test_msms.py | 5 ++++-
modules/io/tests/test_io_pdb.cc | 18 +++++++++---------
modules/io/tests/test_io_sdf.cc | 10 +++++-----
3 files changed, 18 insertions(+), 15 deletions(-)
diff --git a/modules/bindings/tests/test_msms.py b/modules/bindings/tests/test_msms.py
index 54c1ab5b8..8cd56ee5a 100755
--- a/modules/bindings/tests/test_msms.py
+++ b/modules/bindings/tests/test_msms.py
@@ -32,4 +32,7 @@ if __name__ == "__main__":
except(settings.FileNotFound):
print "Could not find msms executable: ignoring unit tests"
exit(0)
- unittest.main()
+ try:
+ unittest.main()
+ except Exception, e:
+ print e
diff --git a/modules/io/tests/test_io_pdb.cc b/modules/io/tests/test_io_pdb.cc
index 54d7d49a9..3b9b691c3 100644
--- a/modules/io/tests/test_io_pdb.cc
+++ b/modules/io/tests/test_io_pdb.cc
@@ -163,15 +163,15 @@ BOOST_AUTO_TEST_CASE(anisou_record)
mol::AtomHandle a1=ent.FindAtom("A", mol::ResNum(7), "N");
BOOST_REQUIRE(a1.IsValid());
mol::AtomProp props=a1.GetAtomProps();
- BOOST_CHECK_CLOSE( 0.0100, props.anisou(0, 0), 1e-4);
- BOOST_CHECK_CLOSE(-0.0016, props.anisou(1, 0), 1e-4);
- BOOST_CHECK_CLOSE(-0.0026, props.anisou(2, 0), 1e-4);
- BOOST_CHECK_CLOSE(-0.0016, props.anisou(0, 1), 1e-4);
- BOOST_CHECK_CLOSE( 0.0110, props.anisou(1, 1), 1e-4);
- BOOST_CHECK_CLOSE(-0.0054, props.anisou(2, 1), 1e-4);
- BOOST_CHECK_CLOSE(-0.0026, props.anisou(0, 2), 1e-4);
- BOOST_CHECK_CLOSE(-0.0054, props.anisou(1, 2), 1e-4);
- BOOST_CHECK_CLOSE( 0.0120, props.anisou(2, 2), 1e-4);
+ BOOST_CHECK_CLOSE(Real( 0.0100), props.anisou(0, 0), Real(1e-4));
+ BOOST_CHECK_CLOSE(Real(-0.0016), props.anisou(1, 0), Real(1e-4));
+ BOOST_CHECK_CLOSE(Real(-0.0026), props.anisou(2, 0), Real(1e-4));
+ BOOST_CHECK_CLOSE(Real(-0.0016), props.anisou(0, 1), Real(1e-4));
+ BOOST_CHECK_CLOSE(Real( 0.0110), props.anisou(1, 1), Real(1e-4));
+ BOOST_CHECK_CLOSE(Real(-0.0054), props.anisou(2, 1), Real(1e-4));
+ BOOST_CHECK_CLOSE(Real(-0.0026), props.anisou(0, 2), Real(1e-4));
+ BOOST_CHECK_CLOSE(Real(-0.0054), props.anisou(1, 2), Real(1e-4));
+ BOOST_CHECK_CLOSE(Real( 0.0120), props.anisou(2, 2), Real(1e-4));
}
BOOST_AUTO_TEST_CASE(only_66_cols)
diff --git a/modules/io/tests/test_io_sdf.cc b/modules/io/tests/test_io_sdf.cc
index 19cdf7f49..8f26c6fbe 100644
--- a/modules/io/tests/test_io_sdf.cc
+++ b/modules/io/tests/test_io_sdf.cc
@@ -60,7 +60,7 @@ BOOST_AUTO_TEST_CASE(simple_sdf)
BOOST_CHECK_EQUAL(eh.GetChainCount(), 1);
BOOST_CHECK_EQUAL(eh.GetAtomCount(), 6);
BOOST_CHECK_EQUAL(eh.GetBondCount(), 6);
- BOOST_CHECK_CLOSE(eh.GetMass(), 121.545502, 1e-4);
+ BOOST_CHECK_CLOSE(eh.GetMass(), Real(121.545502), Real(1e-4));
// check atom/bond types
mol::AtomHandle ah=eh.GetAtomList()[0];
@@ -68,10 +68,10 @@ BOOST_AUTO_TEST_CASE(simple_sdf)
BOOST_CHECK_EQUAL(ah.GetElement(), "N");
BOOST_CHECK_EQUAL(ah2.GetElement(), "Cl");
- BOOST_CHECK_CLOSE(ah.GetRadius(), 1.55, 1e-2);
- BOOST_CHECK_CLOSE(ah2.GetRadius(), 1.75, 1e-2);
- BOOST_CHECK_CLOSE(ah.GetMass(), 14.0067, 1e-4);
- BOOST_CHECK_CLOSE(ah2.GetMass(), 35.453, 1e-3);
+ BOOST_CHECK_CLOSE(ah.GetRadius(), Real(1.55), Real(1e-2));
+ BOOST_CHECK_CLOSE(ah2.GetRadius(), Real(1.75), Real(1e-2));
+ BOOST_CHECK_CLOSE(ah.GetMass(), Real(14.0067), Real(1e-4));
+ BOOST_CHECK_CLOSE(ah2.GetMass(), Real(35.453), Real(1e-3));
BOOST_CHECK_EQUAL(ah.GetBondCount(), 3);
BOOST_CHECK_EQUAL(ah2.GetBondCount(), 1);
BOOST_CHECK_EQUAL(ah.GetCharge(), 1);
--
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