test/affinement_simplex_test.cpp

   1 #include "affinement_simplex_test.h"
   2 #include "sample_monocrystal.h"
   3 #include "reflectionlist.h"
   4
   5 CPPUNIT_TEST_SUITE_REGISTRATION( Affinement_SimplexTest );
   6
   7 void
   8 Affinement_SimplexTest::setUp(void)
   9 {
  10   // initialisation de la source
  11   _geometry = new hkl::eulerian4C::vertical::Geometry;
  12   _geometry->get_source().setWaveLength(1.54);
  13
  14   // initialisation du sample
  15   _sample = hkl::SampleFactory(*_geometry).create("test", hkl::SAMPLE_MONOCRYSTAL);
  16   hkl::Lattice & lattice = _sample->lattice();
  17   lattice.a().set_current(1.);
  18   lattice.b().set_current(5.);
  19   lattice.c().set_current(4.);
  20   lattice.alpha().set_current(90 * hkl::constant::math::degToRad);
  21   lattice.beta().set_current(90 * hkl::constant::math::degToRad);
  22   lattice.gamma().set_current(90 * hkl::constant::math::degToRad);
  23
  24   // Reflection 1
  25   _geometry->get_axe("tth")->set_current(60.*hkl::constant::math::degToRad);
  26   _geometry->get_axe("omega")->set_current(30.*hkl::constant::math::degToRad);
  27   _geometry->get_axe("chi")->set_current(0.*hkl::constant::math::degToRad);
  28   _geometry->get_axe("phi")->set_current(90.*hkl::constant::math::degToRad);
  29   _sample->reflections().add(hkl::svector(1., 0., 0.));
  30
  31   // Reflection 2
  32   _geometry->get_axe("tth")->set_current(60*hkl::constant::math::degToRad);
  33   _geometry->get_axe("omega")->set_current(30.*hkl::constant::math::degToRad);
  34   _geometry->get_axe("chi")->set_current(90.*hkl::constant::math::degToRad);
  35   _geometry->get_axe("phi")->set_current(0.*hkl::constant::math::degToRad);
  36   _sample->reflections().add(hkl::svector(0., 1., 0.));
  37
  38   // Reflection 3
  39   _geometry->get_axe("tth")->set_current(60.*hkl::constant::math::degToRad);
  40   _geometry->get_axe("omega")->set_current(30.*hkl::constant::math::degToRad);
  41   _geometry->get_axe("chi")->set_current(0.*hkl::constant::math::degToRad);
  42   _geometry->get_axe("phi")->set_current(0.*hkl::constant::math::degToRad);
  43   _sample->reflections().add(hkl::svector(0., 0., 1.));
  44
  45   // Reflection 4
  46   _geometry->get_axe("tth")->set_current(60.*hkl::constant::math::degToRad);
  47   _geometry->get_axe("omega")->set_current(60.*hkl::constant::math::degToRad);
  48   _geometry->get_axe("chi")->set_current(60.*hkl::constant::math::degToRad);
  49   _geometry->get_axe("phi")->set_current(60.*hkl::constant::math::degToRad);
  50   _sample->reflections().add(hkl::svector(0.625, 0.75, -0.216506350946));
  51
  52   // Reflection 5
  53   _geometry->get_axe("tth")->set_current(60.*hkl::constant::math::degToRad);
  54   _geometry->get_axe("omega")->set_current(45.*hkl::constant::math::degToRad);
  55   _geometry->get_axe("chi")->set_current(45.*hkl::constant::math::degToRad);
  56   _geometry->get_axe("phi")->set_current(45.*hkl::constant::math::degToRad);
  57   _sample->reflections().add(hkl::svector(0.665975615037, 0.683012701892, 0.299950211252));
  58 }
  59
  60 void
  61 Affinement_SimplexTest::tearDown(void)
  62 {
  63   delete _sample;
  64   delete _geometry;
  65 }
  66
  67 void
  68 Affinement_SimplexTest::Fit(void)
  69 {
  70   hkl::smatrix U_ref(1., 0., 0.,
  71                      0., 1., 0.,
  72                      0., 0., 1.);
  73
  74   for (unsigned int i=0;i<30;i++)
  75     {
  76       CPPUNIT_ASSERT_NO_THROW(_simplex.set_nb_max_iterations(800));
  77       CPPUNIT_ASSERT_NO_THROW(_simplex.fit(*_sample));
  78       CPPUNIT_ASSERT_NO_THROW(_simplex.fit(*_sample));
  79       CPPUNIT_ASSERT_NO_THROW(_simplex.fit(*_sample));
  80       CPPUNIT_ASSERT_NO_THROW(_simplex.set_nb_max_iterations(2500));
  81       CPPUNIT_ASSERT_NO_THROW(_simplex.fit(*_sample));
  82     }
  83
  84   hkl::Lattice lattice_ref = hkl::Lattice(1.54, 1.54, 1.54,
  85                                           90 * hkl::constant::math::degToRad,
  86                                           90 * hkl::constant::math::degToRad,
  87                                           90 * hkl::constant::math::degToRad);
  88   CPPUNIT_ASSERT_EQUAL(U_ref, dynamic_cast<hkl::sample::MonoCrystal *>(_sample)->get_U());
  89   CPPUNIT_ASSERT_EQUAL(lattice_ref, _sample->lattice());
  90 }
  91
  92 void
  93 Affinement_SimplexTest::Fit2(void)
  94 {
  95   /*
  96
  97       // initialisation de la source
  98       _geometry->get_source().setWaveLength(1.5418);
  99
 100       //crystal.setLattice(4.81, 8.47, 2.941, 90.*hkl::constant::math::degToRad, 90.*hkl::constant::math::degToRad, 90. * hkl::constant::math::degToRad);
 101       crystal.setLattice(1, 1, 5, 60.*hkl::constant::math::degToRad, 80.*hkl::constant::math::degToRad, 100. * hkl::constant::math::degToRad);
 102
 103       //crystal["a"].set_flagFit(false);
 104       //crystal["b"].set_flagFit(false);
 105       //crystal["c"].set_flagFit(false);
 106       //crystal["alpha"].set_flagFit(false);
 107       //crystal["beta"].set_flagFit(false);
 108       //crystal["gamma"].set_flagFit(false);
 109
 110       // Reflection 1
 111       _geometry->get_axe("tth").set_value(30.398*hkl::constant::math::degToRad);
 112       _geometry->get_axe("omega").set_value(11.709*hkl::constant::math::degToRad);
 113       _geometry->get_axe("chi").set_value(87.607*hkl::constant::math::degToRad);
 114       _geometry->get_axe("phi").set_value(0.265*hkl::constant::math::degToRad);
 115       crystal.addReflection(Reflection<geometry::eulerian4C::Vertical>(_geometry, 0., 0., 1., 0, true));
 116
 117       // Reflection 2
 118       _geometry->get_axe("tth").set_value(21.001*hkl::constant::math::degToRad);
 119       _geometry->get_axe("omega").set_value(10.322*hkl::constant::math::degToRad);
 120       _geometry->get_axe("chi").set_value(-2.139*hkl::constant::math::degToRad);
 121       _geometry->get_axe("phi").set_value(0.023*hkl::constant::math::degToRad);
 122       crystal.addReflection(Reflection<geometry::eulerian4C::Vertical>(_geometry, 0., 2., 0., 0, true));
 123
 124       // Reflection 3
 125       _geometry->get_axe("tth").set_value(54.046*hkl::constant::math::degToRad);
 126       _geometry->get_axe("omega").set_value(26.872*hkl::constant::math::degToRad);
 127       _geometry->get_axe("chi").set_value(34.938*hkl::constant::math::degToRad);
 128       _geometry->get_axe("phi").set_value(57.295*hkl::constant::math::degToRad);
 129       crystal.addReflection(Reflection<geometry::eulerian4C::Vertical>(_geometry, -2, 2., 1., 0, true));
 130
 131       // Reflection 4
 132       _geometry->get_axe("tth").set_value(37.333*hkl::constant::math::degToRad);
 133       _geometry->get_axe("omega").set_value(18.51*hkl::constant::math::degToRad);
 134       _geometry->get_axe("chi").set_value(53.966*hkl::constant::math::degToRad);
 135       _geometry->get_axe("phi").set_value(54.505*hkl::constant::math::degToRad);
 136       crystal.addReflection(Reflection<geometry::eulerian4C::Vertical>(_geometry, -1, 1., 1., 0, true));
 137
 138       _simplex.set_nb_max_iterations(5000);
 139       Crystal<geometry::eulerian4C::Vertical> crystal1(crystal);
 140       _simplex.fit(crystal);
 141       _simplex.fit(crystal);
 142       _simplex.fit(crystal);
 143       _simplex.set_nb_max_iterations(15000);
 144       _simplex.fit(crystal);
 145       //std::cout << crystal1;
 146       //std::cout << crystal;
 147       //std::cout << crystal.get_U()*crystal.get_B();
 148   */
 149 }
 150
 151 void
 152 Affinement_SimplexTest::persistanceIO(void)
 153 {
 154   hkl::affinement::Simplex simplex_ref, simplex;
 155   hkl::affinement::Simplex simplex1_ref, simplex1;
 156   stringstream flux;
 157
 158   // Modification of the default parameters to be sure
 159   // that serialization is ok.
 160   simplex_ref.set_nb_max_iterations(1500);
 161
 162   simplex_ref.toStream(flux);
 163   simplex1_ref.toStream(flux);
 164   simplex.fromStream(flux);
 165   simplex1.fromStream(flux);
 166
 167   CPPUNIT_ASSERT_EQUAL(simplex_ref, simplex);
 168   CPPUNIT_ASSERT_EQUAL(simplex1_ref, simplex1);
 169 }