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39 * \author Mark Abraham <mark.j.abraham@gmail.com>
44 #include "gromacs/gmxana/gmx_ana.h"
45 #include "testutils/integrationtests.h"
46 #include "testutils/cmdlinetest.h"
47 #include "gromacs/utility/arrayref.h"
54 class GmxTraj : public gmx::test::IntegrationTestFixture,
55 public ::testing::WithParamInterface<const char *>
58 GmxTraj() : groFileName(fileManager_.getInputFilePath("spc2.gro")),
59 xvgFileName(fileManager_.getTemporaryFilePath("spc2.xvg"))
63 int runTest(const char *fileName)
65 gmx::test::CommandLine caller;
66 caller.append("traj");
68 caller.addOption("-s", groFileName);
69 caller.addOption("-ox", xvgFileName);
71 std::string inputTrajectoryFileName = fileManager_.getInputFilePath(fileName);
72 caller.addOption("-f", inputTrajectoryFileName);
74 redirectStringToStdin("0\n");
76 return gmx_traj(caller.argc(), caller.argv());
79 std::string groFileName;
80 std::string xvgFileName;
83 /* TODO These tests are actually not very effective, because gmx-traj
84 * can only return 0 or exit via gmx_fatal() (which currently also
85 * exits the test binary). So, "no XDR/TNG support in the binary"
86 * leads to the reading test appearing to pass. Still, no fatal error
87 * and no segfault is useful information while modifying such code. */
89 TEST_P(GmxTraj, WithDifferentInputFormats)
96 class TrjconvWithIndexGroupSubset : public gmx::test::IntegrationTestFixture,
97 public ::testing::WithParamInterface<const char *>
100 int runTest(const char *fileName)
102 gmx::test::CommandLine caller;
103 caller.append("trjconv");
105 caller.addOption("-s", fileManager_.getInputFilePath("spc2.gro"));
107 std::string inputTrajectoryFileName = fileManager_.getInputFilePath(fileName);
108 caller.addOption("-f", inputTrajectoryFileName);
110 std::string ndxFileName = fileManager_.getInputFilePath("spc2.ndx");
111 caller.addOption("-n", ndxFileName);
113 caller.addOption("-o", fileManager_.getTemporaryFilePath("spc-traj.tng"));
115 redirectStringToStdin("SecondWaterMolecule\n");
117 /* TODO Ideally, we would then check that the output file
118 has only 3 of the 6 atoms (which it does), but the
119 infrastructure for doing that automatically is still
120 being built. This would also fix the TODO below. */
121 return gmx_trjconv(caller.argc(), caller.argv());
124 /* TODO These tests are actually not very effective, because trjconv
125 * can only return 0 or exit via gmx_fatal() (which currently also
126 * exits the test binary). So, "no XDR/TNG support in the binary"
127 * leads to the reading test appearing to pass. Still, no fatal error
128 * and no segfault is useful information while modifying such code. */
130 TEST_P(TrjconvWithIndexGroupSubset, WithDifferentInputFormats)
137 /*! \brief Helper array of input files present in the source repo
138 * database. These all have two identical frames of two SPC water
139 * molecules, which were generated via trjconv from the .gro
141 const char *trajectoryFileNames[] = {
152 #ifdef __INTEL_COMPILER
153 #pragma warning( disable : 177 )
156 INSTANTIATE_TEST_CASE_P(NoFatalErrorWhenWritingFrom,
158 ::testing::ValuesIn(gmx::ArrayRef<const char*>(trajectoryFileNames)));
160 INSTANTIATE_TEST_CASE_P(NoFatalErrorWhenWritingFrom,
161 TrjconvWithIndexGroupSubset,
162 ::testing::ValuesIn(gmx::ArrayRef<const char*>(trajectoryFileNames)));