diff --git a/modules/geom/src/CMakeLists.txt b/modules/geom/src/CMakeLists.txt
index b4720797290e3e0ad37c94f578593bb5ff03cb67..deb888dfd1e82838dae181e8d2a59cbbc8e2fd5b 100644
--- a/modules/geom/src/CMakeLists.txt
+++ b/modules/geom/src/CMakeLists.txt
@@ -23,6 +23,7 @@ composite_op.hh
composite2_op.hh
composite3_op.hh
aligned_cuboid.hh
+vec_mat_predicates.hh
quat.hh
point_cloud.hh
diff --git a/modules/geom/src/vec_mat_predicates.hh b/modules/geom/src/vec_mat_predicates.hh
new file mode 100644
index 0000000000000000000000000000000000000000..5827c60cc81b1266288794ff284fa9519cac3645
--- /dev/null
+++ b/modules/geom/src/vec_mat_predicates.hh
@@ -0,0 +1,144 @@
+//------------------------------------------------------------------------------
+// This file is part of the OpenStructure project <www.openstructure.org>
+//
+// Copyright (C) 2008-2011 by the OpenStructure authors
+//
+// This library is free software; you can redistribute it and/or modify it under
+// the terms of the GNU Lesser General Public License as published by the Free
+// Software Foundation; either version 3.0 of the License, or (at your option)
+// any later version.
+// This library is distributed in the hope that it will be useful, but WITHOUT
+// ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
+// FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
+// details.
+//
+// You should have received a copy of the GNU Lesser General Public License
+// along with this library; if not, write to the Free Software Foundation, Inc.,
+// 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA
+//------------------------------------------------------------------------------
+#ifndef OST_GEOM_VEC_MAT_PREDICATES_HH
+#define OST_GEOM_VEC_MAT_PREDICATES_HH
+
+#include <boost/test/unit_test.hpp>
+#include <ost/geom/geom.hh>
+
+
+/*
+ This file contains several predicates to check for equality of vectors and
+ matrices. Usage:
+
+ BOOST_CHECK(vec2_is_close(geom::Vec2(1,2), geom::Vec2(1, 2)));
+ */
+
+template<class V>
+boost::test_tools::predicate_result vec_is_close(const V& v1, const V& v2,
+ Real tolerance,
+ unsigned int dim)
+{
+ std::string labels[]={"x","y","z","w"};
+ bool flag=true;
+ boost::test_tools::predicate_result res( false );
+ boost::test_tools::close_at_tolerance<Real> close_test(::boost::test_tools::percent_tolerance(tolerance));
+ for(unsigned int i=0;i<dim;++i){
+ if(v1[i]==0.0){
+ if(!boost::test_tools::check_is_small(v2[i],tolerance)){
+ flag=false;
+ res.message() << "Value for " << labels[i] << " differs: ( " << v1[i] << " != " << v2[i] << " ). ";
+ }
+ }else if (v2[i]==0.0){
+ if(!boost::test_tools::check_is_small(v1[i],tolerance)){
+ flag=false;
+ res.message() << "Value for "<< labels[i] << " differs: ( " << v1[i] << " != " << v2[i] << " ). ";
+ }
+ }else{
+ if(!close_test(v1[i],v2[i])){
+ flag=false;
+ res.message() << "Value for " << labels[i] << " differs: ( " << v1[i] << " != " << v2[i] << " ). ";
+ }
+ }
+ }
+ if(flag){
+ return true;
+ }else{
+ return res;
+ }
+}
+
+boost::test_tools::predicate_result vec2_is_close(const geom::Vec2& v1,
+ const geom::Vec2& v2,
+ Real tolerance=geom::EPSILON)
+{
+ return vec_is_close<geom::Vec2>(v1,v2,tolerance,2);
+}
+
+boost::test_tools::predicate_result vec3_is_close(const geom::Vec3& v1,
+ const geom::Vec3& v2,
+ Real tolerance=geom::EPSILON)
+{
+ return vec_is_close<geom::Vec3>(v1,v2,tolerance,3);
+}
+
+boost::test_tools::predicate_result vec4_is_close(const geom::Vec4& v1,
+ const geom::Vec4& v2,
+ Real tolerance=geom::EPSILON)
+{
+ return vec_is_close<geom::Vec4>(v1,v2,tolerance,4);
+}
+
+template<class M>
+boost::test_tools::predicate_result mat_is_close(const M& m1, const M& m2,
+ Real tolerance,
+ unsigned int dim)
+{
+ bool flag=true;
+ boost::test_tools::predicate_result res( false );
+ boost::test_tools::close_at_tolerance<Real> close_test(::boost::test_tools::percent_tolerance(tolerance));
+ for(unsigned int i=0;i<dim;++i){
+ for(unsigned int j=0;j<dim;++j){
+ if(m1(i,j)==0.0){
+ if(!boost::test_tools::check_is_small(m2(i,j),tolerance)){
+ flag=false;
+ res.message() << "Value for (" << i << "," << j << ") differs: (" << m1(i,j) << "!=" << m2(i,j) << "). ";
+ }
+ }else if (m2(i,j)==0.0){
+ if(!boost::test_tools::check_is_small(m1(i,j),tolerance)){
+ flag=false;
+ res.message() << "Value for (" << i << "," << j << ") differs: (" << m1(i,j) << "!=" << m2(i,j) << "). ";
+ }
+ }else{
+ if(!close_test(m1(i,j),m2(i,j))){
+ flag=false;
+ res.message() << "Value for (" << i << "," << j << ") differs: (" << m1(i,j) << "!=" << m2(i,j) << "). ";
+ }
+ }
+ }
+ }
+ if(flag){
+ return true;
+ }else{
+ return res;
+ }
+}
+
+boost::test_tools::predicate_result mat2_is_close(const geom::Mat2& m1,
+ const geom::Mat2& m2,
+ Real tolerance=geom::EPSILON)
+{
+ return mat_is_close<geom::Mat2>(m1,m2,tolerance,2);
+}
+
+boost::test_tools::predicate_result mat3_is_close(const geom::Mat3& m1,
+ const geom::Mat3& m2,
+ Real tolerance=geom::EPSILON)
+{
+ return mat_is_close<geom::Mat3>(m1,m2,tolerance,3);
+}
+
+boost::test_tools::predicate_result mat4_is_close(const geom::Mat4& m1,
+ const geom::Mat4& m2,
+ Real tolerance=geom::EPSILON)
+{
+ return mat_is_close<geom::Mat4>(m1,m2,tolerance,4);
+}
+
+#endif
diff --git a/modules/mol/base/tests/test_entity.cc b/modules/mol/base/tests/test_entity.cc
index 646b75f74e2b3f4b1e892cb4a6033cca5f2e5db1..1bf5a2bba8550420786b9e19db640d0170869c7d 100644
--- a/modules/mol/base/tests/test_entity.cc
+++ b/modules/mol/base/tests/test_entity.cc
@@ -20,6 +20,7 @@
* Authors: Marco Biasini, Juergen Haas
*/
+#include <ost/geom/vec_mat_predicates.hh>
#include <ost/mol/chem_class.hh>
#include <ost/mol/mol.hh>
#include <cmath>
@@ -27,20 +28,13 @@
#include <boost/test/unit_test.hpp>
#define CHECK_TRANSFORMED_ATOM_POSITION(ATOM,TARGET) \
- BOOST_CHECK_SMALL(static_cast<double>(std::fabs(ATOM.GetPos()[0]-TARGET[0])),0.000001); \
- BOOST_CHECK_SMALL(static_cast<double>(std::fabs(ATOM.GetPos()[1]-TARGET[1])),0.000001); \
- BOOST_CHECK_SMALL(static_cast<double>(std::fabs(ATOM.GetPos()[2]-TARGET[2])),0.000001);
+ BOOST_CHECK(vec3_is_close(ATOM.GetPos(), TARGET))
#define CHECK_ORIGINAL_ATOM_POSITION(ATOM,TARGET) \
- BOOST_CHECK_SMALL(static_cast<double>(std::fabs(ATOM.GetOriginalPos()[0]-TARGET[0])),0.000001); \
- BOOST_CHECK_SMALL(static_cast<double>(std::fabs(ATOM.GetOriginalPos()[1]-TARGET[1])),0.000001); \
- BOOST_CHECK_SMALL(static_cast<double>(std::fabs(ATOM.GetOriginalPos()[2]-TARGET[2])),0.000001);
+ BOOST_CHECK(vec3_is_close(ATOM.GetOriginalPos(), TARGET))
#define CHECK_ALTERNATE_ATOM_POSITION(ATOM,TARGET,GROUP) \
- BOOST_CHECK_SMALL(static_cast<double>(std::fabs(ATOM.GetAltPos(GROUP)[0]-TARGET[0])),0.000001); \
- BOOST_CHECK_SMALL(static_cast<double>(std::fabs(ATOM.GetAltPos(GROUP)[1]-TARGET[1])),0.000001); \
- BOOST_CHECK_SMALL(static_cast<double>(std::fabs(ATOM.GetAltPos(GROUP)[2]-TARGET[2])),0.000001);
-
+ BOOST_CHECK(vec3_is_close(ATOM.GetAltPos(GROUP), TARGET))
using namespace ost;
using namespace ost::mol;
diff --git a/modules/mol/base/tests/test_residue.cc b/modules/mol/base/tests/test_residue.cc
index 3451f6f5bfc001e7bc23aa4458c602dbb8bf3ff1..351723b1caf714d002ad4d6ed0c70fa59abb6c00 100644
--- a/modules/mol/base/tests/test_residue.cc
+++ b/modules/mol/base/tests/test_residue.cc
@@ -48,7 +48,6 @@ BOOST_AUTO_TEST_CASE(test_in_sequence)
BOOST_AUTO_TEST_CASE(test_res_index_bzdng227)
{
- std::cout << "HERE" << std::endl;
EntityHandle eh=CreateEntity();
XCSEditor e=eh.EditXCS();
ChainHandle ch1=e.InsertChain("A");