C++ (Cpp) CommandLine::append示例

示例#1

文件： moduletest.cpp 项目： wangxubo0201/gromacs

int
SimulationRunner::callMdrun()
{
    CommandLine caller;
    caller.append("mdrun");
    return callMdrun(caller);
}

示例#2

文件： moduletest.cpp 项目： dkarkoulis/gromacs

int
MdrunTestFixture::callMdrun()
{
    CommandLine caller;
    caller.append("mdrun");
    return callMdrun(caller);
}

示例#3

文件： mdruncomparisonfixture.cpp 项目： yupinov/gromacs

void MdrunComparisonFixture::runTest(const char            *simulationName,
                                     const char            *integrator,
                                     const char            *tcoupl,
                                     const char            *pcoupl,
                                     FloatingPointTolerance tolerance)
{
    CommandLine caller;
    caller.append("grompp");
    runTest(caller, simulationName, integrator, tcoupl, pcoupl, tolerance);
}

示例#4

文件： moduletest.cpp 项目： wangxubo0201/gromacs

int
SimulationRunner::callGromppOnThisRank()
{
    CommandLine caller;
    caller.append("grompp");
    caller.addOption("-f", mdpInputFileName_);
    caller.addOption("-n", ndxFileName_);
    caller.addOption("-p", topFileName_);
    caller.addOption("-c", groFileName_);

    caller.addOption("-po", mdpOutputFileName_);
    caller.addOption("-o", tprFileName_);

    return gmx_grompp(caller.argc(), caller.argv());
}