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37 * Tests for functionality of the "distance" trajectory analysis module.
39 * \author Teemu Murtola <teemu.murtola@gmail.com>
40 * \ingroup module_trajectoryanalysis
44 #include "gromacs/trajectoryanalysis/modules/distance.h"
46 #include <gtest/gtest.h>
48 #include "testutils/cmdlinetest.h"
50 #include "moduletest.h"
55 using gmx::test::CommandLine;
57 /********************************************************************
58 * Tests for gmx::analysismodules::Distance.
61 //! Test fixture for the angle analysis module.
62 typedef gmx::test::TrajectoryAnalysisModuleTestFixture<gmx::analysismodules::DistanceInfo> DistanceModuleTest;
64 TEST_F(DistanceModuleTest, ComputesDistances)
66 const char* const cmdline[] = { "distance", "-select", "atomname S1 S2", "-len", "2",
68 setTopology("simple.gro");
69 runTest(CommandLine(cmdline));
72 TEST_F(DistanceModuleTest, ComputesMultipleDistances)
74 const char* const cmdline[] = {
75 "distance", "-select",
76 "atomname S1 S2", "resindex 1 to 4 and atomname CB merge resindex 2 to 5 and atomname CB",
80 setTopology("simple.gro");
81 runTest(CommandLine(cmdline));
84 TEST_F(DistanceModuleTest, HandlesDynamicSelections)
86 const char* const cmdline[] = { "distance", "-select", "atomname S1 S2 and res_cog x < 2.8",
89 setTopology("simple.gro");
90 runTest(CommandLine(cmdline));
93 TEST_F(DistanceModuleTest, HandlesSelectionFromGroup)
95 const char* const cmdline[] = { "distance", "-select", "group \"Contacts\"" };
96 setInputFile("-n", "simple.ndx");
97 setTopology("simple.gro");
98 runTest(CommandLine(cmdline));
101 TEST_F(DistanceModuleTest, HandlesSelectionFromLargeGroup)
103 const char* const cmdline[] = { "distance", "-select", "group \"ManyContacts\"" };
104 setInputFile("-n", "simple.ndx");
105 setTopology("simple.gro");
106 runTest(CommandLine(cmdline));