api/nblib/tests/box.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * This implements basic nblib box tests
  38  *
  39  * \author Victor Holanda <victor.holanda@cscs.ch>
  40  * \author Joe Jordan <ejjordan@kth.se>
  41  * \author Prashanth Kanduri <kanduri@cscs.ch>
  42  * \author Sebastian Keller <keller@cscs.ch>
  43  */
  44 #include <cmath>
  45
  46 #include "nblib/box.h"
  47 #include "nblib/exception.h"
  48
  49 #include "testutils/refdata.h"
  50 #include "testutils/testasserts.h"
  51
  52 using gmx::test::defaultRealTolerance;
  53
  54 namespace nblib
  55 {
  56
  57 TEST(NBlibTest, CubicBoxCannotHaveNaN)
  58 {
  59     real number = NAN;
  60     EXPECT_THROW(Box box(number), InputException);
  61 }
  62
  63 TEST(NBlibTest, CubicBoxCannotHaveInf)
  64 {
  65     real number = INFINITY;
  66     EXPECT_THROW(Box box(number), InputException);
  67 }
  68
  69 TEST(NBlibTest, RectangularBoxCannotHaveNaN)
  70 {
  71     real number = NAN;
  72     EXPECT_THROW(Box box(number, real(1.), real(1.)), InputException);
  73 }
  74
  75 TEST(NBlibTest, RectangularBoxCannotHaveInf)
  76 {
  77     real number = INFINITY;
  78     EXPECT_THROW(Box box(number, real(1.), real(1.)), InputException);
  79 }
  80
  81 TEST(NBlibTest, CubicBoxWorks)
  82 {
  83     real              length = 3;
  84     Box::LegacyMatrix ref    = { { length, 0, 0 }, { 0, length, 0 }, { 0, 0, length } };
  85     Box               test   = Box(length);
  86
  87     for (int i = 0; i < dimSize; ++i)
  88         for (int j = 0; j < dimSize; ++j)
  89             EXPECT_REAL_EQ_TOL(ref[i][j], test.legacyMatrix()[i][j], defaultRealTolerance());
  90 }
  91
  92 } // namespace nblib