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Commit f9ff5e87 authored by Bienchen's avatar Bienchen
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Solved problemes with BOOST_CHECK_CLOSE in tests on bc2.

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modules/img/alg/tests/test_stat.cc
+ 4
− 4
View file @ f9ff5e87
...@@ -52,7 +52,7 @@ void test() { ...@@ -52,7 +52,7 @@ void test() {
im.Apply(stat); im.Apply(stat);
BOOST_CHECK_CLOSE(stat.GetMean(),Real(5.0),Real(0.0001)); BOOST_CHECK_CLOSE(stat.GetMean(),Real(5.0),Real(0.0001));
BOOST_CHECK_CLOSE(stat.GetStandardDeviation(),Real(2.58198889747),Real(0.0001)); BOOST_CHECK_CLOSE(stat.GetStandardDeviation(),Real(2.58198889747),Real(0.0001));
BOOST_CHECK_CLOSE(stat.GetSkewness()+0.5,Real(0.5),Real(0.0001)); BOOST_CHECK_CLOSE(stat.GetSkewness()+Real(0.5),Real(0.5),Real(0.0001));
BOOST_CHECK_CLOSE(stat.GetKurtosis(),Real(1.77),Real(0.0001)); BOOST_CHECK_CLOSE(stat.GetKurtosis(),Real(1.77),Real(0.0001));
// check for rounding errors // check for rounding errors
...@@ -60,7 +60,7 @@ void test() { ...@@ -60,7 +60,7 @@ void test() {
im.Apply(stat); im.Apply(stat);
BOOST_CHECK_CLOSE(stat.GetMean(),Real(10005.0),Real(0.0001)); BOOST_CHECK_CLOSE(stat.GetMean(),Real(10005.0),Real(0.0001));
BOOST_CHECK_CLOSE(stat.GetStandardDeviation(),Real(2.58198889747),Real(0.01)); BOOST_CHECK_CLOSE(stat.GetStandardDeviation(),Real(2.58198889747),Real(0.01));
BOOST_CHECK_CLOSE(stat.GetSkewness()+0.5,Real(0.5),Real(0.01)); BOOST_CHECK_CLOSE(stat.GetSkewness()+Real(0.5),Real(0.5),Real(0.01));
BOOST_CHECK_CLOSE(stat.GetKurtosis(),Real(1.77),Real(0.01)); BOOST_CHECK_CLOSE(stat.GetKurtosis(),Real(1.77),Real(0.01));
...@@ -72,7 +72,7 @@ void test() { ...@@ -72,7 +72,7 @@ void test() {
} }
BOOST_CHECK_CLOSE(acc.GetMean(),Real(5.0),Real(0.0001)); BOOST_CHECK_CLOSE(acc.GetMean(),Real(5.0),Real(0.0001));
BOOST_CHECK_CLOSE(acc.GetStandardDeviation(),Real(2.58198889747),Real(0.0001)); BOOST_CHECK_CLOSE(acc.GetStandardDeviation(),Real(2.58198889747),Real(0.0001));
BOOST_CHECK_CLOSE(acc.GetSkewness()+0.5,Real(0.5),Real(0.0001)); BOOST_CHECK_CLOSE(acc.GetSkewness()+Real(0.5),Real(0.5),Real(0.0001));
BOOST_CHECK_CLOSE(acc.GetKurtosis(),Real(1.77),Real(0.0001)); BOOST_CHECK_CLOSE(acc.GetKurtosis(),Real(1.77),Real(0.0001));
StatAccumulator<> acc1,acc2,acc3; StatAccumulator<> acc1,acc2,acc3;
...@@ -84,7 +84,7 @@ void test() { ...@@ -84,7 +84,7 @@ void test() {
StatAccumulator<> acc_c=acc1+acc2+acc3; StatAccumulator<> acc_c=acc1+acc2+acc3;
BOOST_CHECK_CLOSE(acc_c.GetMean(),Real(5.0),Real(0.0001)); BOOST_CHECK_CLOSE(acc_c.GetMean(),Real(5.0),Real(0.0001));
BOOST_CHECK_CLOSE(acc_c.GetStandardDeviation(),Real(2.58198889747),Real(0.0001)); BOOST_CHECK_CLOSE(acc_c.GetStandardDeviation(),Real(2.58198889747),Real(0.0001));
BOOST_CHECK_CLOSE(acc_c.GetSkewness()+0.5,Real(0.5),Real(0.0001)); BOOST_CHECK_CLOSE(acc_c.GetSkewness()+Real(0.5),Real(0.5),Real(0.0001));
BOOST_CHECK_CLOSE(acc_c.GetKurtosis(),Real(1.77),Real(0.0001)); BOOST_CHECK_CLOSE(acc_c.GetKurtosis(),Real(1.77),Real(0.0001));
} }
......
modules/mol/base/tests/test_ics.cc
+ 27
− 27
View file @ f9ff5e87
...@@ -107,7 +107,7 @@ BOOST_AUTO_TEST_CASE(ics_update_icsbondlength) ...@@ -107,7 +107,7 @@ BOOST_AUTO_TEST_CASE(ics_update_icsbondlength)
{ {
TorsionStructure s; TorsionStructure s;
mol::BondHandle bond = s.a2.FindBondToAtom(s.a3); mol::BondHandle bond = s.a2.FindBondToAtom(s.a3);
BOOST_CHECK_CLOSE(bond.GetLength(), 1.0, EPSILON); BOOST_CHECK_CLOSE(bond.GetLength(), Real(1.0), Real(EPSILON));
} }
BOOST_AUTO_TEST_CASE(ics_settorsion_unbuffered) BOOST_AUTO_TEST_CASE(ics_settorsion_unbuffered)
...@@ -115,20 +115,20 @@ BOOST_AUTO_TEST_CASE(ics_settorsion_unbuffered) ...@@ -115,20 +115,20 @@ BOOST_AUTO_TEST_CASE(ics_settorsion_unbuffered)
Real eps = 0.0001; Real eps = 0.0001;
TorsionStructure s; TorsionStructure s;
ICSEditor e = s.e.EditICS(mol::UNBUFFERED_EDIT); ICSEditor e = s.e.EditICS(mol::UNBUFFERED_EDIT);
BOOST_CHECK_CLOSE(s.t1.GetAngle(), M_PI, eps); BOOST_CHECK_CLOSE(s.t1.GetAngle(), Real(M_PI), Real(eps));
BOOST_CHECK_SMALL(s.t2.GetAngle(), eps); BOOST_CHECK_SMALL(s.t2.GetAngle(), eps);
e.SetTorsionAngle(s.t1,0); e.SetTorsionAngle(s.t1,0);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI), Real(eps));
e.SetTorsionAngle(s.t2,M_PI/4); e.SetTorsionAngle(s.t2,M_PI/4);
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI/4, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI/4), Real(eps));
BOOST_CHECK_CLOSE(s.t1.GetAngle(), -M_PI+M_PI/4, eps); BOOST_CHECK_CLOSE(s.t1.GetAngle(), Real(-M_PI+M_PI/4), Real(eps));
e.SetTorsionAngle(s.t1,-M_PI/4); e.SetTorsionAngle(s.t1,-M_PI/4);
BOOST_CHECK_CLOSE(s.t1.GetAngle(), -M_PI/4, eps); BOOST_CHECK_CLOSE(s.t1.GetAngle(), Real(-M_PI/4), Real(eps));
BOOST_CHECK_CLOSE(s.t2.GetAngle(), 3/4.*M_PI, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(3/4.*M_PI), Real(eps));
e.RotateTorsionAngle(s.t1, M_PI/4); e.RotateTorsionAngle(s.t1, M_PI/4);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_CLOSE(std::abs(s.t2.GetAngle()), M_PI, eps); BOOST_CHECK_CLOSE(std::abs(s.t2.GetAngle()), Real(M_PI), Real(eps));
} }
BOOST_AUTO_TEST_CASE(ics_settorsion_buffered) BOOST_AUTO_TEST_CASE(ics_settorsion_buffered)
...@@ -136,20 +136,20 @@ BOOST_AUTO_TEST_CASE(ics_settorsion_buffered) ...@@ -136,20 +136,20 @@ BOOST_AUTO_TEST_CASE(ics_settorsion_buffered)
Real eps = 0.0001; Real eps = 0.0001;
TorsionStructure s; TorsionStructure s;
ICSEditor e = s.e.EditICS(mol::BUFFERED_EDIT); ICSEditor e = s.e.EditICS(mol::BUFFERED_EDIT);
BOOST_CHECK_CLOSE(s.t1.GetAngle(), M_PI, eps); BOOST_CHECK_CLOSE(s.t1.GetAngle(), Real(M_PI), Real(eps));
BOOST_CHECK_SMALL(s.t2.GetAngle(), eps); BOOST_CHECK_SMALL(s.t2.GetAngle(), eps);
e.SetTorsionAngle(s.t1,0); e.SetTorsionAngle(s.t1,0);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI), Real(eps));
e.SetTorsionAngle(s.t2,M_PI/4); e.SetTorsionAngle(s.t2,M_PI/4);
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI/4, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI/4), Real(eps));
BOOST_CHECK_CLOSE(s.t1.GetAngle(), -M_PI+M_PI/4, eps); BOOST_CHECK_CLOSE(s.t1.GetAngle(), Real(-M_PI+M_PI/4), Real(eps));
e.SetTorsionAngle(s.t1,-M_PI/4); e.SetTorsionAngle(s.t1,-M_PI/4);
BOOST_CHECK_CLOSE(s.t1.GetAngle(), -M_PI/4, eps); BOOST_CHECK_CLOSE(s.t1.GetAngle(), Real(-M_PI/4), Real(eps));
BOOST_CHECK_CLOSE(s.t2.GetAngle(), 3/4.*M_PI, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(3/4.*M_PI), Real(eps));
e.RotateTorsionAngle(s.t1, M_PI/4); e.RotateTorsionAngle(s.t1, M_PI/4);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_CLOSE(std::abs(s.t2.GetAngle()), M_PI, eps); BOOST_CHECK_CLOSE(std::abs(s.t2.GetAngle()), Real(M_PI), Real(eps));
} }
BOOST_AUTO_TEST_CASE(ics_settorsion_unbuffered_update_others) BOOST_AUTO_TEST_CASE(ics_settorsion_unbuffered_update_others)
...@@ -157,20 +157,20 @@ BOOST_AUTO_TEST_CASE(ics_settorsion_unbuffered_update_others) ...@@ -157,20 +157,20 @@ BOOST_AUTO_TEST_CASE(ics_settorsion_unbuffered_update_others)
Real eps = 0.0001; Real eps = 0.0001;
TorsionStructure s; TorsionStructure s;
ICSEditor e = s.e.EditICS(mol::UNBUFFERED_EDIT); ICSEditor e = s.e.EditICS(mol::UNBUFFERED_EDIT);
BOOST_CHECK_CLOSE(s.t1.GetAngle(), M_PI, eps); BOOST_CHECK_CLOSE(s.t1.GetAngle(), Real(M_PI), Real(eps));
BOOST_CHECK_SMALL(s.t2.GetAngle(), eps); BOOST_CHECK_SMALL(s.t2.GetAngle(), eps);
e.SetTorsionAngle(s.t1,0,false); e.SetTorsionAngle(s.t1,0,false);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_SMALL(s.t2.GetAngle(), eps); BOOST_CHECK_SMALL(s.t2.GetAngle(), eps);
e.SetTorsionAngle(s.t2,M_PI/4,false); e.SetTorsionAngle(s.t2,M_PI/4,false);
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI/4, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI/4), Real(eps));
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
e.SetTorsionAngle(s.t1,-M_PI/4,false); e.SetTorsionAngle(s.t1,-M_PI/4,false);
BOOST_CHECK_CLOSE(s.t1.GetAngle(), -M_PI/4, eps); BOOST_CHECK_CLOSE(s.t1.GetAngle(), Real(-M_PI/4), Real(eps));
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI/4, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI/4), Real(eps));
e.RotateTorsionAngle(s.t1, M_PI/4,false); e.RotateTorsionAngle(s.t1, M_PI/4,false);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI/4, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI/4), Real(eps));
} }
BOOST_AUTO_TEST_CASE(ics_settorsion_buffered_update_others) BOOST_AUTO_TEST_CASE(ics_settorsion_buffered_update_others)
...@@ -178,20 +178,20 @@ BOOST_AUTO_TEST_CASE(ics_settorsion_buffered_update_others) ...@@ -178,20 +178,20 @@ BOOST_AUTO_TEST_CASE(ics_settorsion_buffered_update_others)
Real eps = 0.0001; Real eps = 0.0001;
TorsionStructure s; TorsionStructure s;
ICSEditor e = s.e.EditICS(mol::BUFFERED_EDIT); ICSEditor e = s.e.EditICS(mol::BUFFERED_EDIT);
BOOST_CHECK_CLOSE(s.t1.GetAngle(), M_PI, eps); BOOST_CHECK_CLOSE(s.t1.GetAngle(), Real(M_PI), Real(eps));
BOOST_CHECK_SMALL(s.t2.GetAngle(), eps); BOOST_CHECK_SMALL(s.t2.GetAngle(), eps);
e.SetTorsionAngle(s.t1,0,false); e.SetTorsionAngle(s.t1,0,false);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_SMALL(s.t2.GetAngle(), eps); BOOST_CHECK_SMALL(s.t2.GetAngle(), eps);
e.SetTorsionAngle(s.t2,M_PI/4,false); e.SetTorsionAngle(s.t2,M_PI/4,false);
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI/4, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI/4), Real(eps));
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
e.SetTorsionAngle(s.t1,-M_PI/4,false); e.SetTorsionAngle(s.t1,-M_PI/4,false);
BOOST_CHECK_CLOSE(s.t1.GetAngle(), -M_PI/4, eps); BOOST_CHECK_CLOSE(s.t1.GetAngle(), Real(-M_PI/4), Real(eps));
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI/4, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI/4), Real(eps));
e.RotateTorsionAngle(s.t1, M_PI/4,false); e.RotateTorsionAngle(s.t1, M_PI/4,false);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI/4, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI/4), Real(eps));
} }
BOOST_AUTO_TEST_CASE(ics_settorsion_linear_unbuffered) BOOST_AUTO_TEST_CASE(ics_settorsion_linear_unbuffered)
...@@ -207,13 +207,13 @@ BOOST_AUTO_TEST_CASE(ics_settorsion_linear_unbuffered) ...@@ -207,13 +207,13 @@ BOOST_AUTO_TEST_CASE(ics_settorsion_linear_unbuffered)
BOOST_CHECK_SMALL(s.t2.GetAngle(), eps); BOOST_CHECK_SMALL(s.t2.GetAngle(), eps);
e.SetTorsionAngle(s.t2,M_PI/4); e.SetTorsionAngle(s.t2,M_PI/4);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI/4, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI/4), Real(eps));
e.SetTorsionAngle(s.t1,-M_PI/4); e.SetTorsionAngle(s.t1,-M_PI/4);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_SMALL(s.t2.GetAngle(), eps); BOOST_CHECK_SMALL(s.t2.GetAngle(), eps);
e.RotateTorsionAngle(s.t1, M_PI/4); e.RotateTorsionAngle(s.t1, M_PI/4);
BOOST_CHECK_SMALL(s.t1.GetAngle(), eps); BOOST_CHECK_SMALL(s.t1.GetAngle(), eps);
BOOST_CHECK_CLOSE(s.t2.GetAngle(), M_PI/4, eps); BOOST_CHECK_CLOSE(s.t2.GetAngle(), Real(M_PI/4), Real(eps));
} }
BOOST_AUTO_TEST_CASE(ics_angle_trivia) BOOST_AUTO_TEST_CASE(ics_angle_trivia)
......
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