--- trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp 2005/05/05 14:47:35 2220 +++ trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp 2005/05/17 02:09:25 2226 @@ -47,60 +47,70 @@ namespace oopse { namespace oopse { - /** - * @class DirectionalAtomType - * - * DirectionalAtomType is what OOPSE looks to for unchanging data - * about a directional atoms. - */ - class DirectionalAtomType : public AtomType { +/** + * @class DirectionalAtomType + * + * DirectionalAtomType is what OOPSE looks to for unchanging data + * about a directional atoms. + */ +class DirectionalAtomType : public AtomType { - public: + public: - DirectionalAtomType() : AtomType() { atp.is_Directional = 1; } + DirectionalAtomType() : AtomType() { atp.is_Directional = 1; } - Mat3x3d getI() {return I;} + Mat3x3d getI() {return I;} - void setI(Mat3x3d theI) {I = theI;} + void setI(Mat3x3d theI) {I = theI;} - RotMat3x3d getElectroBodyFrame() { - return electroBodyFrame_; - } + RotMat3x3d getElectroBodyFrame() { + return electroBodyFrame_; + } - void setElectroBodyFrame(const RotMat3x3d& electroBodyFrame) { - electroBodyFrame_ =electroBodyFrame; - } + void setElectroBodyFrame(const RotMat3x3d& electroBodyFrame) { + electroBodyFrame_ =electroBodyFrame; + } - void setDipole() { atp.is_Dipole = 1; } - void setSplitDipole() { atp.is_SplitDipole = 1; atp.is_Dipole=1;} - void setQuadrupole() { atp.is_Quadrupole = 1; } - void setGayBerne() { atp.is_GayBerne = 1; } - void setSticky() { atp.is_Sticky = 1; } - void setStickyPower() { atp.is_StickyPower = 1; } - void setShape() { atp.is_Shape = 1;} + void setDipole() { atp.is_Dipole = 1; } + void setSplitDipole() { atp.is_SplitDipole = 1; atp.is_Dipole=1;} + void setQuadrupole() { atp.is_Quadrupole = 1; } + void setGayBerne() { atp.is_GayBerne = 1; } + void setSticky() { atp.is_Sticky = 1; } + void setShape() { atp.is_Shape = 1;} - virtual void complete(); + virtual void complete(); - private: + private: - Mat3x3d I; - RotMat3x3d electroBodyFrame_; - }; + Mat3x3d I; + RotMat3x3d electroBodyFrame_; +}; - struct StickyParam { - double w0; - double v0; - double v0p; - double rl; - double ru; - double rlp; - double rup; - }; +struct StickyParam { +double w0; +double v0; +double v0p; +double rl; +double ru; +double rlp; +double rup; +}; - typedef SimpleTypeData StickyParamGenericData; +struct GayBerneParam{ +double GB_sigma; +double GB_eps; +double GB_mu; +double GB_nu; +double GB_eps_ratio; +double GB_12b_ratio; +}; - typedef SimpleTypeData Vector3dGenericData; +typedef SimpleTypeData StickyParamGenericData; + +typedef SimpleTypeData GayBerneParamGenericData; + +typedef SimpleTypeData Vector3dGenericData; } #endif