src/io/ForceFieldOptions.cpp

#include "io/ForceFieldOptions.hpp"
namespace oopse {
    ForceFieldOptions::ForceFieldOptions() {
      std::cout << "\n";
      DefineOptionalParameter(Name, "Name");
      DefineOptionalParameterWithDefaultValue(vdWtype, "vdWtype", "Lennard-Jones");
      DefineOptionalParameterWithDefaultValue(DistanceMixingRule, "DistanceMixingRule", "arithmetic");
      DefineOptionalParameterWithDefaultValue(DistanceType, "DistanceType", "sigma");
      DefineOptionalParameterWithDefaultValue(EnergyMixingRule, "EnergyMixingRule", "geometric");
      DefineOptionalParameterWithDefaultValue(EnergyUnitScaling, "EnergyUnitScaling", 1.0);
      DefineOptionalParameterWithDefaultValue(DistanceUnitScaling, "DistanceUnitScaling", 1.0);
      DefineOptionalParameterWithDefaultValue(AngleUnitScaling, "AngleUnitScaling", 1.0);
      DefineOptionalParameterWithDefaultValue(TorsionAngleConvention, "TorsionAngleConvention", "180 is trans");
      DefineOptionalParameterWithDefaultValue(vdw14scale, "vdW-14-scale", 0.0);
      DefineOptionalParameterWithDefaultValue(electrostatic14scale, "electrostatic-14-scale", 0.0);
      DefineOptionalParameterWithDefaultValue(dielectric, "dielectric", 1.0);
    }
}
Revision:	789
Committed:	Mon Dec 5 23:37:56 2005 UTC (19 years, 10 months ago) by tim
File size:	1202 byte(s)
Log Message:	Fix parsing error in OptionSectionParser
#	Content
1	#include "io/ForceFieldOptions.hpp"
2	namespace oopse {
3	ForceFieldOptions::ForceFieldOptions() {
4	std::cout << "\n";
5	DefineOptionalParameter(Name, "Name");
6	DefineOptionalParameterWithDefaultValue(vdWtype, "vdWtype", "Lennard-Jones");
7	DefineOptionalParameterWithDefaultValue(DistanceMixingRule, "DistanceMixingRule", "arithmetic");
8	DefineOptionalParameterWithDefaultValue(DistanceType, "DistanceType", "sigma");
9	DefineOptionalParameterWithDefaultValue(EnergyMixingRule, "EnergyMixingRule", "geometric");
10	DefineOptionalParameterWithDefaultValue(EnergyUnitScaling, "EnergyUnitScaling", 1.0);
11	DefineOptionalParameterWithDefaultValue(DistanceUnitScaling, "DistanceUnitScaling", 1.0);
12	DefineOptionalParameterWithDefaultValue(AngleUnitScaling, "AngleUnitScaling", 1.0);
13	DefineOptionalParameterWithDefaultValue(TorsionAngleConvention, "TorsionAngleConvention", "180 is trans");
14	DefineOptionalParameterWithDefaultValue(vdw14scale, "vdW-14-scale", 0.0);
15	DefineOptionalParameterWithDefaultValue(electrostatic14scale, "electrostatic-14-scale", 0.0);
16	DefineOptionalParameterWithDefaultValue(dielectric, "dielectric", 1.0);
17	}
18	}