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Commit ff5e49cd authored by Studer Gabriel's avatar Studer Gabriel
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slightly relax dcd io unit test

The reason is that the check just scratches floating point accuracy and
occasionally failed on some machines
parent cb2f10d8
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......@@ -76,13 +76,13 @@ BOOST_AUTO_TEST_CASE(test_io_dcd_charmm_frames)
BOOST_CHECK_EQUAL(cg2.GetFrameCount(),uint(1));
mol::CoordFramePtr cf2 = cg2.GetFrame(0);
BOOST_CHECK(geom::Distance(cf2->GetCellSize(),cell_size)<1e-6);
BOOST_CHECK(geom::Distance(cf2->GetCellAngles(),cell_angles)<1e-6);
BOOST_CHECK(geom::Distance(cf2->GetCellSize(),cell_size)<1e-5);
BOOST_CHECK(geom::Distance(cf2->GetCellAngles(),cell_angles)<1e-5);
geom::Vec3List atom_pos2=cg2.GetFramePositions(0);
for(size_t i=0;i<natoms;++i) {
BOOST_CHECK(geom::Distance(atom_pos[i],atom_pos2[i])<1e-6);
BOOST_CHECK(geom::Distance(atom_pos[i],atom_pos2[i])<1e-5);
}
}
......
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