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37 * Tests for insertion of molecules.
39 * \author Mark Abraham <mark.j.abraham@gmail.com>
44 #include "gromacs/gmxpreprocess/insert-molecules.h"
46 #include "gromacs/utility/futil.h"
48 #include "testutils/cmdlinetest.h"
49 #include "testutils/integrationtests.h"
55 typedef int (*CMainFunction)(int argc, char *argv[]);
57 //! Test fixture for insert-molecules
58 class InsertMoleculesTest : public gmx::test::IntegrationTestFixture
63 : ciFileName(fileManager_.getInputFilePath("x.gro")),
64 outputFileName(fileManager_.getTemporaryFilePath("out.gro")),
65 theFunction(gmx_insert_molecules)
67 caller.append("insert-molecules");
68 caller.addOption("-o", outputFileName);
72 //! Name of file to use for -ci
73 std::string ciFileName;
74 //! Name of output file to use for -o
75 std::string outputFileName;
76 //! Helper object for managing the call to gmx_insert_molecules
77 gmx::test::CommandLine caller;
78 //! Points to the function to be tested
79 CMainFunction theFunction;
82 TEST_F(InsertMoleculesTest, f_ci_Works)
84 caller.addOption("-f", fileManager_.getInputFilePath("spc-and-methanol.gro"));
85 caller.addOption("-nmol", "1");
86 caller.addOption("-ci", ciFileName);
88 ASSERT_EQ(0, theFunction(caller.argc(), caller.argv()));
91 TEST_F(InsertMoleculesTest, box_ci_Works)
93 caller.addOption("-box", "4");
94 caller.addOption("-nmol", "5");
95 caller.addOption("-ci", ciFileName);
97 ASSERT_EQ(0, theFunction(caller.argc(), caller.argv()));
100 TEST_F(InsertMoleculesTest, f_box_ci_Works)
102 caller.addOption("-f", fileManager_.getInputFilePath("spc-and-methanol.gro"));
103 caller.addOption("-box", "4");
104 caller.addOption("-nmol", "2");
105 caller.addOption("-ci", ciFileName);
107 ASSERT_EQ(0, theFunction(caller.argc(), caller.argv()));
110 // TODO Someone who knows what -ip is good for should write something