29 #ifndef CDPL_PHARM_XBONDINGINTERACTIONCONSTRAINT_HPP
30 #define CDPL_PHARM_XBONDINGINTERACTIONCONSTRAINT_HPP
50 static constexpr
double DEF_MIN_AX_DISTANCE = 1.6;
51 static constexpr
double DEF_MAX_AX_DISTANCE = 3.75;
52 static constexpr
double DEF_MIN_AXB_ANGLE = 135.0;
53 static constexpr
double DEF_MAX_ACC_ANGLE = 45.0;
65 double min_axb_ang = DEF_MIN_AXB_ANGLE,
double max_acc_ang = DEF_MAX_ACC_ANGLE):
67 minAXDist(min_ax_dist), maxAXDist(max_ax_dist), minAXBAngle(min_axb_ang), maxAccAngle(max_acc_ang) {}
89 #endif // CDPL_PHARM_XBONDINGINTERACTIONCONSTRAINT_HPP