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[gromacs.git] / src / gromacs / gmxpreprocess / tests / editconf.cpp
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35 /*! \internal \file
36 * \brief
37 * Tests for editconf
39 * \author Mark Abraham <mark.j.abraham@gmail.com>
42 #include "gmxpre.h"
44 #include "gromacs/gmxpreprocess/editconf.h"
46 #include <tuple>
48 #include "gromacs/fileio/filetypes.h"
50 #include "testutils/cmdlinetest.h"
51 #include "testutils/filematchers.h"
52 #include "testutils/refdata.h"
53 #include "testutils/textblockmatchers.h"
55 namespace gmx
57 namespace test
59 namespace
62 using test::CommandLine;
63 using test::TextFileMatch;
65 //! Test parameter struct.
66 using CommandLineOptionParams = std::tuple<std::string, int>;
68 class EditconfTest :
69 public test::CommandLineTestBase,
70 public ::testing::WithParamInterface<CommandLineOptionParams>
72 public:
73 EditconfTest()
75 const auto& params = GetParam();
76 setInputFile("-f", std::get<0>(params));
78 std::string outputfile = "output.";
79 outputfile += ftp2ext(std::get<1>(params));
80 ExactTextMatch settings;
81 setOutputFile("-o", outputfile.c_str(), TextFileMatch(settings));
84 void runTest(const char* testName)
86 // Get the command line flags that were set up in the constructor
87 CommandLine& cmdline = commandLine();
89 // Provide the name of the module to call
90 std::string module[] = { "editconf" };
91 cmdline.merge(CommandLine(module));
93 // Call the module
94 ASSERT_EQ(0, gmx_editconf(cmdline.argc(), cmdline.argv()));
96 // Check the output
97 auto extension = ftp2ext(std::get<1>(GetParam()));
98 TestReferenceChecker rootChecker(this->rootChecker());
99 rootChecker.checkString(extension, testName);
100 checkOutputFiles();
104 TEST_P(EditconfTest, ProducesMatchingOutputStructureFile)
106 runTest("Output file type");
109 TEST_P(EditconfTest, ProducesMatchingOutputStructureFileUsingIndexGroup)
111 setInputFile("-n", "fragment1.ndx");
112 runTest("Output file type using index group");
115 // TODO These reproduce slightly differently in double precision, and
116 // we don't yet have a precision-agnostic way to check on the output
117 // coordinates. It's better to run the tests only in single than not
118 // have the tests.
119 #if !GMX_DOUBLE
120 INSTANTIATE_TEST_CASE_P(
121 SinglePeptideFragments,
122 EditconfTest,
123 ::testing::Combine(::testing::Values("fragment1.pdb", "fragment1.gro", "fragment1.g96"),
124 ::testing::Values(efPDB, efGRO, efG96)));
125 #endif
127 } // namespace
128 } // namespace test
129 } // namespace gmx