simulationdatabase.cpp File Reference

#include "gmxpre.h"
#include "testutils/simulationdatabase.h"
#include <algorithm>
#include <map>
#include <string>
#include "gromacs/utility/stringutil.h"
#include "testutils/testasserts.h"

Include dependency graph for simulationdatabase.cpp:

Description

Implements declarations from in simulationdatabase.h.

Author

Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m

Typedefs
using	gmx::test::anonymous_namespace{simulationdatabase.cpp}::MdpFileValues = std::map< std::string, DatabaseEntry >
	Helper typedef.
using	gmx::test::anonymous_namespace{simulationdatabase.cpp}::MdpDatabase = std::map< MdpParameterDatabase, MdpFieldValues >
	Helper typedef for mdp database.

Functions
MdpFieldValues	gmx::test::anonymous_namespace{simulationdatabase.cpp}::prepareDefaultMdpFieldValues (const std::string &simulationName)
	Prepare default .mdp values. More...
bool	gmx::test::isNumberOfPpRanksSupported (const std::string &simulationName, int possibleNumberOfPpRanks)
	Return whether the number of ranks is supported by the simulation simulationName in the database. More...
std::string	gmx::test::reportNumbersOfPpRanksSupported (const std::string &simulationName)
	Return a string describing the numbers of ranks supported for the simulation simulationName in the database.
MdpFieldValues	gmx::test::prepareMdpFieldValues (const std::string &simulationName, const std::string &integrator, const std::string &tcoupl, const std::string &pcoupl, MdpParameterDatabase additionalMdpParameters=MdpParameterDatabase::Default)
	Set up values for an .mdp file that permits a highly reproducible simulation. More...
MdpFieldValues	gmx::test::prepareMdpFieldValues (const char *simulationName, const char *integrator, const char *tcoupl, const char *pcoupl, MdpParameterDatabase additionalMdpParameters=MdpParameterDatabase::Default)
	Set up values for an .mdp file that permits a highly reproducible simulation. More...
std::string	gmx::test::prepareMdpFileContents (const MdpFieldValues &mdpFieldValues)
	Make a string containing an .mdp file from the mdpFieldValues. More...

Variables
const MdpFileValues	gmx::test::anonymous_namespace{simulationdatabase.cpp}::mdpFileValueDatabase_g
	Database of .mdp strings that supports prepareDefaultMdpValues()
const MdpDatabase	gmx::test::anonymous_namespace{simulationdatabase.cpp}::c_additionalMdpOptions
	Database of additional mdp options used for specific algorithms.