--- trunk/src/io/Globals.cpp 2006/01/11 23:06:08 848 +++ trunk/src/io/Globals.cpp 2006/01/12 04:13:46 849 @@ -130,7 +130,11 @@ void Globals::validate() { CheckParameter(ForceField, isNotEmpty()); CheckParameter(TargetTemp, isPositive()); - CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) || isEqualIgnoreCase(std::string("NVT")) || isEqualIgnoreCase(std::string("NPTi")) || isEqualIgnoreCase(std::string("NPTf")) || isEqualIgnoreCase(std::string("NPTxyz")) ); + CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) || + isEqualIgnoreCase(std::string("NVT")) || + isEqualIgnoreCase(std::string("NPTi")) || + isEqualIgnoreCase(std::string("NPTf")) || + isEqualIgnoreCase(std::string("NPTxyz")) ); CheckParameter(Dt, isPositive()); CheckParameter(RunTime, isPositive()); CheckParameter(InitialConfig, isNotEmpty()); @@ -148,7 +152,8 @@ void Globals::validate() { CheckParameter(ZconsTime, isPositive()); CheckParameter(ZconsTol, isPositive()); CheckParameter(Seed, isPositive()); - CheckParameter(Minimizer, isEqualIgnoreCase(std::string("SD")) || isEqualIgnoreCase(std::string("CG"))); + CheckParameter(Minimizer, isEqualIgnoreCase(std::string("SD")) || + isEqualIgnoreCase(std::string("CG"))); CheckParameter(MinimizerMaxIter, isPositive()); CheckParameter(MinimizerWriteFrq, isPositive()); CheckParameter(MinimizerStepSize, isPositive()); @@ -166,10 +171,20 @@ void Globals::validate() { CheckParameter(ThermIntThetaSpringConst, isPositive()); CheckParameter(ThermIntOmegaSpringConst, isPositive()); CheckParameter(SurfaceTension, isPositive()); - CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase(std::string("NONE")) || isEqualIgnoreCase(std::string("SHIFTED_POTENTIAL")) || isEqualIgnoreCase(std::string("SHIFTED_FORCE")) || isEqualIgnoreCase(std::string("REACTION_FIELD"))); - CheckParameter(ElectrostaticScreeningMethod, isEqualIgnoreCase(std::string("UNDAMPED")) || isEqualIgnoreCase(std::string("DAMPED"))); - CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) || isEqualIgnoreCase(std::string("MAX")) || isEqualIgnoreCase(std::string("TRADITIONAL"))); - CheckParameter(SwitchingFunctionType, isEqualIgnoreCase(std::string("CUBIC")) || isEqualIgnoreCase(std::string("FIFTH_ORDER_POLYNOMIAL"))); + CheckParameter(ElectrostaticSummationMethod, + isEqualIgnoreCase(std::string("NONE")) || + isEqualIgnoreCase(std::string("SHIFTED_POTENTIAL")) || + isEqualIgnoreCase(std::string("SHIFTED_FORCE")) || + isEqualIgnoreCase(std::string("REACTION_FIELD"))); + CheckParameter(ElectrostaticScreeningMethod, + isEqualIgnoreCase(std::string("UNDAMPED")) || + isEqualIgnoreCase(std::string("DAMPED"))); + CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) || + isEqualIgnoreCase(std::string("MAX")) || + isEqualIgnoreCase(std::string("TRADITIONAL"))); + CheckParameter(SwitchingFunctionType, + isEqualIgnoreCase(std::string("CUBIC")) || + isEqualIgnoreCase(std::string("FIFTH_ORDER_POLYNOMIAL"))); //CheckParameter(StatFileFormat,); //CheckParameter(MixingRule,); CheckParameter(OrthoBoxTolerance, isPositive());