--- trunk/src/primitives/DirectionalAtom.hpp 2004/09/24 04:16:43 2 +++ trunk/src/primitives/DirectionalAtom.hpp 2004/11/04 16:22:03 205 @@ -5,8 +5,8 @@ #include #include -#include "StuntDouble.hpp" -#include "Atom.hpp" +#include "primitives/StuntDouble.hpp" +#include "primitives/Atom.hpp" class DirectionalAtom : public Atom { @@ -20,6 +20,9 @@ class DirectionalAtom : public Atom { (public) for (int j=0; j < 3; j++) sU[i][j] = 0.0; + is_linear = false; + linear_axis = -1; + momIntTol = 1e-6; } virtual ~DirectionalAtom() {} @@ -50,6 +53,9 @@ class DirectionalAtom : public Atom { (public) void setI( double the_I[3][3] ); void getI( double the_I[3][3] ); + + bool isLinear() {return is_linear;} + int linearAxis() {return linear_axis;} void lab2Body( double r[3] ); void body2Lab( double r[3] ); @@ -80,6 +86,10 @@ class DirectionalAtom : public Atom { (public) double Iyx, Iyy, Iyz; double Izx, Izy, Izz; + bool is_linear; + int linear_axis; + double momIntTol; + }; #endif