--- trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp 2004/10/22 20:21:36 1632 +++ trunk/OOPSE-3.0/src/types/DirectionalAtomType.hpp 2004/10/22 21:21:02 1634 @@ -24,21 +24,24 @@ namespace oopse { */ void complete(); - Matrix3x3d getI() {return I;} - void setI(Matrix3x3d theI) {I = theI;} + Mat3x3d getI() {return I;} + void setI(Mat3x3d theI) {I = theI;} - void setDipole() { atp.is_Dipole = 1; atp.is_Electrostatic = 1;} - bool isDipole() { return atp.is_Dipole; } + void setDipole() { atp.is_Dipole = 1; atp.is_Electrostatic = 1; } + bool isDipole() { return atp.is_Dipole; } - void setGayBerne() { atp.is_GayBerne = 1; } - bool isGayBerne() { return atp.is_GayBerne; } + void setGayBerne() { atp.is_GayBerne = 1; } + bool isGayBerne() { return atp.is_GayBerne; } - void setShape() { atp.is_Shape = 1;} - bool isShape() { return atp.is_Shape; } + void setSticky() { atp.is_Sticky = 1; } + bool isSticky() { return atp.is_Sticky; } + + void setShape() { atp.is_Shape = 1;} + bool isShape() { return atp.is_Shape; } private: - Matrix3x3d I; + Mat3x3d I; }; }