112 |
|
DeclareParameter(ElectrostaticScreeningMethod, std::string); |
113 |
|
DeclareParameter(DampingAlpha, RealType); |
114 |
|
DeclareParameter(Dielectric, RealType); |
115 |
+ |
DeclareParameter(CutoffMethod, std::string); |
116 |
|
DeclareParameter(CutoffPolicy, std::string); |
117 |
|
DeclareParameter(SwitchingFunctionType, std::string); |
118 |
|
DeclareParameter(CompressDumpFile, bool); |
144 |
|
DeclareParameter(Restraint_file, std::string); |
145 |
|
DeclareParameter(HULL_Method, std::string); |
146 |
|
DeclareParameter(Alpha, RealType); |
147 |
+ |
DeclareAlterableParameter(MDfileVersion, int); |
148 |
|
|
149 |
|
public: |
150 |
|
bool addComponent(Component* comp); |
162 |
|
int getNRestraintStamps() {return restraints_.size();} |
163 |
|
std::vector<RestraintStamp*> getRestraintStamps() {return restraints_;} |
164 |
|
RestraintStamp* getRestraintStampAt(int index) {return restraints_.at(index);} |
163 |
– |
|
164 |
– |
//std::string getRestraint_file(){ |
165 |
|
|
166 |
|
virtual void validate(); |
167 |
|
private: |