src/gromacs/topology/tests/idef.cpp

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  35 /*! \internal \file
  36  * \brief
  37  * Implements test of InteractionList routines
  38  *
  39  * \author Paul Bauer <paul.bauer.q@gmail.com>
  40  * \ingroup module_topology
  41  */
  42 #include "gmxpre.h"
  43
  44 #include "gromacs/topology/idef.h"
  45
  46 #include <array>
  47
  48 #include <gtest/gtest.h>
  49
  50 namespace gmx
  51 {
  52 namespace
  53 {
  54
  55 TEST(InteractionListTest, EmptyWorks)
  56 {
  57     InteractionList ilist;
  58     EXPECT_TRUE(ilist.empty());
  59     EXPECT_EQ(ilist.size(), 0);
  60 }
  61
  62 TEST(InteractionListTest, CanAddInteractionArray)
  63 {
  64     InteractionList    ilist;
  65     int                parameterType  = 0;
  66     std::array<int, 1> singleAtomList = { 1 };
  67     ilist.push_back(parameterType, singleAtomList);
  68     EXPECT_FALSE(ilist.empty());
  69     EXPECT_EQ(ilist.size(), 2);
  70     EXPECT_EQ(ilist.iatoms[0], parameterType);
  71     EXPECT_EQ(ilist.iatoms[1], 1);
  72 }
  73
  74 TEST(InteractionListTest, CanAddInteractionArrayMultipleAtoms)
  75 {
  76     InteractionList    ilist;
  77     int                parameterType = 0;
  78     std::array<int, 3> atomList      = { 1, 2, 3 };
  79     ilist.push_back(parameterType, atomList);
  80     EXPECT_FALSE(ilist.empty());
  81     EXPECT_EQ(ilist.size(), 4);
  82     EXPECT_EQ(ilist.iatoms[0], parameterType);
  83     EXPECT_EQ(ilist.iatoms[1], 1);
  84     EXPECT_EQ(ilist.iatoms[2], 2);
  85     EXPECT_EQ(ilist.iatoms[3], 3);
  86 }
  87
  88 TEST(InteractionListTest, CanAddInteractionPointer)
  89 {
  90     InteractionList    ilist;
  91     int                parameterType  = 0;
  92     std::array<int, 1> singleAtomList = { 1 };
  93     ilist.push_back(parameterType, singleAtomList.size(), singleAtomList.data());
  94     EXPECT_FALSE(ilist.empty());
  95     EXPECT_EQ(ilist.size(), 2);
  96     EXPECT_EQ(ilist.iatoms[0], parameterType);
  97     EXPECT_EQ(ilist.iatoms[1], 1);
  98 }
  99
 100 TEST(InteractionListTest, CanAddListToOtherList)
 101 {
 102     InteractionList firstList;
 103     int             firstParameterType = 0;
 104     {
 105         std::array<int, 1> singleAtomList = { 1 };
 106         firstList.push_back(firstParameterType, singleAtomList);
 107         EXPECT_FALSE(firstList.empty());
 108         EXPECT_EQ(firstList.size(), 2);
 109         EXPECT_EQ(firstList.iatoms[0], firstParameterType);
 110         EXPECT_EQ(firstList.iatoms[1], 1);
 111     }
 112     InteractionList secondList;
 113     int             secondParameterType = 1;
 114     {
 115         std::array<int, 3> atomList = { 1, 2, 3 };
 116         secondList.push_back(secondParameterType, atomList);
 117         EXPECT_FALSE(secondList.empty());
 118         EXPECT_EQ(secondList.size(), 4);
 119         EXPECT_EQ(secondList.iatoms[0], secondParameterType);
 120         EXPECT_EQ(secondList.iatoms[1], 1);
 121         EXPECT_EQ(secondList.iatoms[2], 2);
 122         EXPECT_EQ(secondList.iatoms[3], 3);
 123     }
 124     firstList.append(secondList);
 125     EXPECT_EQ(firstList.size(), 6);
 126     EXPECT_EQ(firstList.iatoms[2], secondParameterType);
 127     EXPECT_EQ(firstList.iatoms[3], 1);
 128     EXPECT_EQ(firstList.iatoms[4], 2);
 129     EXPECT_EQ(firstList.iatoms[5], 3);
 130 }
 131
 132 TEST(InteractionListTest, ClearingWorks)
 133 {
 134     InteractionList    ilist;
 135     int                parameterType  = 0;
 136     std::array<int, 1> singleAtomList = { 1 };
 137     ilist.push_back(parameterType, singleAtomList);
 138     EXPECT_FALSE(ilist.empty());
 139     EXPECT_EQ(ilist.size(), 2);
 140     EXPECT_EQ(ilist.iatoms[0], parameterType);
 141     EXPECT_EQ(ilist.iatoms[1], 1);
 142     ilist.clear();
 143     EXPECT_TRUE(ilist.empty());
 144     EXPECT_EQ(ilist.size(), 0);
 145 }
 146
 147 } // namespace
 148
 149 } // namespace gmx