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#include <string> |
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#include <map> |
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#include "io/BASS_interface.h" |
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#include "types/Component.hpp" |
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#include "types/MakeStamps.hpp" |
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#include "types/ZconStamp.hpp" |
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#include "types/ZconsStamp.hpp" |
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#include "types/MoleculeStamp.hpp" |
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#include "utils/ParameterManager.hpp" |
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class Globals { |
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namespace oopse { |
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class Globals : public DataHolder { |
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public: |
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Globals(); |
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virtual ~Globals(); |
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DeclareParameter(ForceField, std::string); |
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DeclareParameter(NComponents, int); |
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DeclareParameter(TargetTemp, double); |
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DeclareParameter(Ensemble, std::string); |
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DeclareParameter(Dt, double); |
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DeclareParameter(RunTime, double); |
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DeclareParameter(InitialConfig, std::string); |
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DeclareParameter(FinalConfig, std::string); |
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DeclareParameter(NMol, int); |
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DeclareParameter(Density, double); |
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DeclareParameter(Box, double); |
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DeclareParameter(BoxX, double); |
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DeclareParameter(BoxY, double); |
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DeclareParameter(BoxZ, double); |
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DeclareParameter(SampleTime, double); |
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DeclareParameter(ResetTime, double); |
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DeclareParameter(StatusTime, double); |
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DeclareParameter(TauThermostat, double); |
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DeclareParameter(TauBarostat, double); |
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DeclareParameter(ZconsTime, double); |
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DeclareParameter(NZconstraints, int); |
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DeclareParameter(ZconsTol, double); |
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DeclareParameter(ZconsForcePolicy, std::string); |
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DeclareParameter(Seed, int); |
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DeclareParameter(SkinThickness, double); |
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DeclareParameter(StatFileFormat, std::string); |
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private: |
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typedef std::map<std::string, ParameterBase*> ParamMap; |
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ParamMap parameters_; |
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Component* current_component; |
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Component** components; // the array of components |
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ZconStamp* current_zConstraint; |
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ZconStamp** zConstraints; // the array of zConstraints |
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char* checkMe(); |
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public: |
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int newComponent( event* the_event ); |
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int componentAssign( event* the_event ); |
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int componentEnd( event* the_event ); |
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bool addComponent(Component* comp); |
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bool addZConsStamp(ZConsStamp* zcons); |
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bool addMoleculeStamp(MoleculeStamp* molStamp); |
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int getNComponents() {return components_.size();} |
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std::vector<Component*> getComponents() {return components_;} |
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Component* getComponentAt(int index) {return components_.at(index);} |
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int newZconstraint( event* the_event ); |
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int zConstraintAssign( event* the_event ); |
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int zConstraintEnd( event* the_event ); |
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int globalAssign( event* the_event ); |
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int globalEnd( event* the_event ); |
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int getNZconsStamps() {return zconstraints_.size();} |
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std::vector<ZConsStamp*> getZconsStamps() {return zconstraints_;} |
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ZConsStamp* getZconsStampAt(int index) {return zconstraints_.at(index);} |
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ZconStamp** getZconStamp() {return zConstraints;} |
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Component** getComponents() {return components;} |
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virtual void validate(); |
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private: |
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std::vector<Component*> components_; |
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> |
std::vector<ZConsStamp*> zconstraints_; |
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std::map<std::string, MoleculeStamp*> moleculeStamps_; |
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}; |
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} |
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#endif |
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