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  /*! \internal \file
   * \brief
   * Tests for functionality of the "pairdist" trajectory analysis module.
   *
   * These tests test the basic functionality of the tool itself, but currently
   * the following are missing:
   *  - Tests related to -odg output.  This would require a full tpr file, and
   *    some investigation on what kind of tpr it should be to produce reasonable
   *    output.
   *  - Tests for the X axes in the area per atom/residue plots.  These could be
   *    added once better X axes are implemented.
   *  - Tests for XVG labels.  This is a limitation of the current testing
   *    framework.
   *
   * \author Teemu Murtola <teemu.murtola@gmail.com>
   * \ingroup module_trajectoryanalysis
   */
  #include "gmxpre.h"
  
  #include "gromacs/trajectoryanalysis/modules/pairdist.h"
  
  #include <gtest/gtest.h>
  
  #include "testutils/cmdlinetest.h"
  #include "testutils/testasserts.h"
  #include "testutils/textblockmatchers.h"
  
  #include "moduletest.h"
  
  namespace
  {
  
  using gmx::test::CommandLine;
  using gmx::test::NoTextMatch;
  
  /********************************************************************
   * Tests for gmx::analysismodules::PairDistance.
   */
  
  //! Test fixture for the select analysis module.
  typedef gmx::test::TrajectoryAnalysisModuleTestFixture<gmx::analysismodules::PairDistanceInfo> PairDistanceModuleTest;
  
  TEST_F(PairDistanceModuleTest, ComputesAllDistances)
  {
      const char* const cmdline[] = { "pairdist",     "-ref",         "resindex 1",
                                      "-refgrouping", "none",         "-sel",
                                      "resindex 3",   "-selgrouping", "none" };
      setTopology("simple.gro");
      setOutputFile("-o", ".xvg", NoTextMatch());
      runTest(CommandLine(cmdline));
  }
  
  TEST_F(PairDistanceModuleTest, ComputesAllDistancesWithCutoff)
  {
      const char* const cmdline[] = { "pairdist", "-ref",    "resindex 1", "-refgrouping",
                                      "none",     "-sel",    "resindex 3", "-selgrouping",
                                      "none",     "-cutoff", "1.5" };
      setTopology("simple.gro");
      setOutputFile("-o", ".xvg", NoTextMatch());
      runTest(CommandLine(cmdline));
  }
  
  TEST_F(PairDistanceModuleTest, ComputesMinDistanceWithCutoff)
  {
      const char* const cmdline[] = { "pairdist",   "-ref",    "resindex 1", "-sel",
                                      "resindex 3", "-cutoff", "1.5" };
      setTopology("simple.gro");
      setOutputFile("-o", ".xvg", NoTextMatch());
      runTest(CommandLine(cmdline));
  }
  
  TEST_F(PairDistanceModuleTest, ComputesMaxDistance)
  {
      const char* const cmdline[] = { "pairdist",   "-ref",  "resindex 1", "-sel",
                                      "resindex 3", "-type", "max" };
      setTopology("simple.gro");
      setOutputFile("-o", ".xvg", NoTextMatch());
      runTest(CommandLine(cmdline));
  }
  
  TEST_F(PairDistanceModuleTest, ComputesMaxDistanceWithCutoff)
  {
      const char* const cmdline[] = { "pairdist", "-ref", "resindex 1", "-sel", "resindex 3",
                                      "-cutoff",  "1.5",  "-type",      "max" };
      setTopology("simple.gro");
      setOutputFile("-o", ".xvg", NoTextMatch());
      runTest(CommandLine(cmdline));
  }
  
  TEST_F(PairDistanceModuleTest, ComputesGroupedMinDistanceWithCutoff)
  {
      const char* const cmdline[] = { "pairdist",        "-ref",         "resindex 1 to 2",
                                      "-refgrouping",    "res",          "-sel",
                                      "resindex 3 to 5", "-selgrouping", "res",
                                      "-cutoff",         "2.5" };
      setTopology("simple.gro");
      setOutputFile("-o", ".xvg", NoTextMatch());
      runTest(CommandLine(cmdline));
  }
  
  TEST_F(PairDistanceModuleTest, ComputesGroupedMaxDistanceWithCutoff)
  {
      const char* const cmdline[] = { "pairdist",
                                      "-ref",
                                      "resindex 1 to 2",
                                      "-refgrouping",
                                      "res",
                                      "-sel",
                                      "resindex 3 to 5",
                                      "-selgrouping",
                                      "res",
                                      "-cutoff",
                                      "3.5",
                                      "-type",
                                      "max" };
      setTopology("simple.gro");
      setOutputFile("-o", ".xvg", NoTextMatch());
      runTest(CommandLine(cmdline));
  }
  
  TEST_F(PairDistanceModuleTest, CoordinateSelectionIsNotOverwritten)
  {
      const char* const cmdline[] = { "pairdist", "-ref", "[0.0, 1.5, 2.9]", "-sel", "resindex 3",
                                      "-type",    "max" };
      setTopology("simple.gro");
      setOutputFile("-o", ".xvg", NoTextMatch());
      runTest(CommandLine(cmdline));
  }
  
  TEST_F(PairDistanceModuleTest, CoordinateSelectionIsNotOverwrittenWithExplicitGroup)
  {
      const char* const cmdline[] = { "pairdist", "-ref", "[0.0, 1.5, 2.9]", "-sel", "resindex 3",
                                      "-type",    "max",  "-refgrouping",    "res" };
      setTopology("simple.gro");
      setOutputFile("-o", ".xvg", NoTextMatch());
      runTest(CommandLine(cmdline));
  }
  
  } // namespace
  