Gromacs
2024.3
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Test fixture for the hbond analysis module.
Additional Inherited Members | |
Public Member Functions inherited from gmx::test::AbstractTrajectoryAnalysisModuleTestFixture | |
void | setTopology (const char *filename) |
Sets the topology file to use for the test. More... | |
void | setTrajectory (const char *filename) |
Sets the trajectory file to use for the test. More... | |
void | includeDataset (const char *name) |
Includes only specified dataset for the test. More... | |
void | excludeDataset (const char *name) |
Excludes specified dataset from the test. More... | |
void | setDatasetTolerance (const char *name, const FloatingPointTolerance &tolerance) |
Sets a custom tolerance for checking a dataset. More... | |
void | runTest (const CommandLine &args) |
Runs the analysis module with the given additional options. More... | |
Public Member Functions inherited from gmx::test::CommandLineTestBase | |
void | setInputFile (const char *option, const char *filename) |
Sets an input file. More... | |
void | setInputFile (const char *option, const std::string &filename) |
Sets an input file. More... | |
void | setModifiableInputFile (const char *option, const char *filename) |
Sets an input file that may be modified. The file is copied to a temporary file, which is used as the test input. More... | |
void | setModifiableInputFile (const char *option, const std::string &filename) |
Sets an input file that may be modified. The file is copied to a temporary file, which is used as the test input. More... | |
void | setInputFileContents (const char *option, const char *extension, const std::string &contents) |
Generates and sets an input file. More... | |
void | setInputFileContents (const char *option, const char *extension, const ArrayRef< const char *const > &contents) |
Generates and sets an input file. More... | |
std::string | setOutputFile (const char *option, const char *filename, const ITextBlockMatcherSettings &matcher) |
Sets an output file whose name is passed via an option and adds it to the set of tested files. More... | |
std::string | setOutputFile (const char *option, const char *filename, const IFileMatcherSettings &matcher) |
std::string | setOutputFileWithGeneratedName (const char *filename, const ITextBlockMatcherSettings &matcher) |
Sets an output file whose name is generated by the tool and adds it to the set of tested files. More... | |
std::string | setOutputFileWithGeneratedName (std::string &&filename, const ITextBlockMatcherSettings &matcher) |
Sets an output file whose name is generated by the tool and adds it to the set of tested files. More... | |
std::string | setOutputFileWithGeneratedName (const char *filename, const IFileMatcherSettings &matcher) |
Sets an output file whose name is generated by the tool and adds it to the set of tested files. More... | |
std::string | setOutputFileWithGeneratedName (std::string &&filename, const IFileMatcherSettings &matcher) |
Sets an output file whose name is generated by the tool and adds it to the set of tested files. More... | |
std::string | setInputAndOutputFile (const char *option, const char *filename, const ITextBlockMatcherSettings &matcher) |
Sets a file parameter that is used for input and modified as output. The input file is copied to a temporary file that is used as input and can be modified. | |
std::string | setInputAndOutputFile (const char *option, const char *filename, const IFileMatcherSettings &matcher) |
Sets a file parameter that is used for input and modified as output. The input file is copied to a temporary file that is used as input and can be modified. More... | |
CommandLine & | commandLine () |
Returns the internal CommandLine object used to construct the command line for the test. More... | |
TestFileManager & | fileManager () |
Returns the internal TestFileManager object used to manage the files. More... | |
TestReferenceChecker | rootChecker () |
Returns the root reference data checker. More... | |
void | setDefaultTolerance (const FloatingPointTolerance &tolerance) |
Sets the tolerance for floating-point comparisons. More... | |
void | testWriteHelp (ICommandLineModule *module) |
Checks the output of writeHelp() against reference data. | |
void | checkOutputFiles () |
Checks output files added with setOutputFile() against reference data. More... | |
Protected Member Functions inherited from gmx::test::TrajectoryAnalysisModuleTestFixture< gmx::analysismodules::HbondInfo > | |
TrajectoryAnalysisModulePointer | createModule () override |
Constructs the analysis module to be tested. | |