//! Use a given string as input to grompp
void useStringAsMdpFile(const std::string& mdpString);
//! Use a string as -n input to grompp
- void useStringAsNdxFile(const char* ndxString);
+ void useStringAsNdxFile(const char* ndxString) const;
//! Use a standard .top and .g96 file as input to grompp
void useTopG96AndNdxFromDatabase(const std::string& name);
//! Use a standard .top and .gro file as input to grompp
//! Convenience wrapper for a default call to \c callGromppOnThisRank
int callGromppOnThisRank();
//! Calls nmeig for testing
- int callNmeig();
+ int callNmeig() const;
//! Calls mdrun for testing with a customized command line
int callMdrun(const CommandLine& callerRef);
/*! \brief Convenience wrapper for calling mdrun for testing
* with default command line */
int callMdrun();
//! Calls convert-tpr on this rank to set a new number of steps in the tpr.
- int changeTprNsteps(int nsteps);
+ int changeTprNsteps(int nsteps) const;
//@{
/*! \name Names for frequently used grompp and mdrun output files
~MdrunTestFixtureBase() override;
//! Communicator over which the test fixture works
+ // NOLINTNEXTLINE(cppcoreguidelines-avoid-non-const-global-variables)
static MPI_Comm communicator_;
/*! \brief Hardware information object
*
* Detected within \c communicator_ and available to re-use
* over all tests in the test case of this text fixture. */
+ // NOLINTNEXTLINE(cppcoreguidelines-avoid-non-const-global-variables)
static std::unique_ptr<gmx_hw_info_t> hwinfo_;
};