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root/group/trunk/OOPSE-2.0/src/io/Globals.cpp
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Comparing trunk/OOPSE-2.0/src/io/Globals.cpp (file contents):
Revision 2548 by chrisfen, Thu Jan 12 04:13:46 2006 UTC vs.
Revision 2549 by tim, Thu Jan 12 14:31:33 2006 UTC

# Line 130 | Line 130 | void Globals::validate() {
130  
131    CheckParameter(ForceField, isNotEmpty());
132    CheckParameter(TargetTemp, isPositive());
133 <  CheckParameter(Ensemble, isEqualIgnoreCase(std::string("NVE")) ||
134 <                 isEqualIgnoreCase(std::string("NVT")) ||
135 <                 isEqualIgnoreCase(std::string("NPTi")) ||
136 <                 isEqualIgnoreCase(std::string("NPTf")) ||
137 <                 isEqualIgnoreCase(std::string("NPTxyz")) );
133 >  CheckParameter(Ensemble, isEqualIgnoreCase("NVE") || isEqualIgnoreCase("NVT") || isEqualIgnoreCase("NPTi") || isEqualIgnoreCase("NPTf") || isEqualIgnoreCase("NPTxyz") );
134    CheckParameter(Dt, isPositive());
135    CheckParameter(RunTime, isPositive());
136    CheckParameter(InitialConfig, isNotEmpty());
# Line 152 | Line 148 | void Globals::validate() {
148    CheckParameter(ZconsTime, isPositive());
149    CheckParameter(ZconsTol, isPositive());
150    CheckParameter(Seed, isPositive());
151 <  CheckParameter(Minimizer, isEqualIgnoreCase(std::string("SD")) ||
156 <                 isEqualIgnoreCase(std::string("CG")));
151 >  CheckParameter(Minimizer, isEqualIgnoreCase("SD") || isEqualIgnoreCase("CG"));
152    CheckParameter(MinimizerMaxIter, isPositive());
153    CheckParameter(MinimizerWriteFrq, isPositive());
154    CheckParameter(MinimizerStepSize, isPositive());
# Line 171 | Line 166 | void Globals::validate() {
166    CheckParameter(ThermIntThetaSpringConst, isPositive());
167    CheckParameter(ThermIntOmegaSpringConst, isPositive());
168    CheckParameter(SurfaceTension, isPositive());
169 <  CheckParameter(ElectrostaticSummationMethod,
170 <                 isEqualIgnoreCase(std::string("NONE")) ||
171 <                 isEqualIgnoreCase(std::string("SHIFTED_POTENTIAL")) ||
172 <                 isEqualIgnoreCase(std::string("SHIFTED_FORCE")) ||
178 <                 isEqualIgnoreCase(std::string("REACTION_FIELD")));
179 <  CheckParameter(ElectrostaticScreeningMethod,
180 <                 isEqualIgnoreCase(std::string("UNDAMPED")) ||
181 <                 isEqualIgnoreCase(std::string("DAMPED")));
182 <  CheckParameter(CutoffPolicy, isEqualIgnoreCase(std::string("MIX")) ||
183 <                 isEqualIgnoreCase(std::string("MAX")) ||
184 <                 isEqualIgnoreCase(std::string("TRADITIONAL")));
185 <  CheckParameter(SwitchingFunctionType,
186 <                 isEqualIgnoreCase(std::string("CUBIC")) ||
187 <                 isEqualIgnoreCase(std::string("FIFTH_ORDER_POLYNOMIAL")));
169 >  CheckParameter(ElectrostaticSummationMethod, isEqualIgnoreCase("NONE") || isEqualIgnoreCase("SHIFTED_POTENTIAL") || isEqualIgnoreCase("SHIFTED_FORCE") || isEqualIgnoreCase("REACTION_FIELD"));
170 >  CheckParameter(ElectrostaticScreeningMethod, isEqualIgnoreCase("UNDAMPED") || isEqualIgnoreCase("DAMPED"));
171 >  CheckParameter(CutoffPolicy, isEqualIgnoreCase("MIX") || isEqualIgnoreCase("MAX") || isEqualIgnoreCase("TRADITIONAL"));
172 >  CheckParameter(SwitchingFunctionType, isEqualIgnoreCase("CUBIC") || isEqualIgnoreCase("FIFTH_ORDER_POLYNOMIAL"));
173    //CheckParameter(StatFileFormat,);    
174    //CheckParameter(MixingRule,);
175    CheckParameter(OrthoBoxTolerance, isPositive());  

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