| CalcAngle(const Vec3D *atm1, const Vec3D *atm2, const Vec3D *atm3) | Vec3D | [static] |
| CalcDihedral(const Vec3D *atm1, const Vec3D *atm2, const Vec3D *atm3, const Vec3D *atm4) | Vec3D | [static] |
| CalcDistance(const Vec3D *atm1, const Vec3D *atm2, const CoordUnits units=BOHR_U) | Vec3D | [static] |
| CalcHlxParams(const Vec3D &c0_1, const Vec3D &v1_1, const Vec3D &v2_1, const Vec3D &v3_1, const Vec3D &c0_2, const Vec3D &v1_2, const Vec3D &v2_2, const Vec3D &v3_2, double &shift, double &slide, double &rise, double &tilt, double &roll, double &twist, int idir=1) | Vec3D | [static] |
| CalcTorsion(const Vec3D *atm1, const Vec3D *atm2, const Vec3D *atm3, const Vec3D *atm4) | Vec3D | [static] |
| charge | MatPoint | |
| diff(Vec3D &c, const Vec3D &vec1, const Vec3D &vec2) | Vec3D | [static] |
| DotProduct(const Vec3D &vec1, const Vec3D &vec2) | Vec3D | [static] |
| ew | MatPoint | |
| FFSymbol | MatPoint | |
| FillRef(char *buf, int mode=ATOMREF_FULL) const | MatPoint | [virtual] |
| GetCharge() const | MatPoint | [inline] |
| GetFFSymbol() const | MatPoint | [inline] |
| GetMass() const | MatPoint | [inline] |
| GetRef(int ref_type=ATOMREF_FULL) const | MatPoint | |
| GetX() const | Vec3D | [inline] |
| GetY() const | Vec3D | [inline] |
| GetZ() const | Vec3D | [inline] |
| IsAtom() const | MatPoint | [inline, virtual] |
| IsHydrogen() const | MatPoint | [inline, virtual] |
| length() const | Vec3D | |
| length2() const | Vec3D | |
| mass | MatPoint | |
| MatPoint() (defined in MatPoint) | MatPoint | |
| normalize() | Vec3D | |
| operator *(const double factor, const Vec3D &v) | Vec3D | [friend] |
| operator+(const Vec3D &v1, const Vec3D &v2) | Vec3D | [friend] |
| operator-(const Vec3D &v1, const Vec3D &v2) | Vec3D | [friend] |
| operator=(const Vec3D &ref_vec) (defined in Vec3D) | Vec3D | |
| operator[](int i) | Vec3D | [inline] |
| operator[](int i) const | Vec3D | [inline] |
| Rotate(Vec3D &n, double cosa, double sina) | Vec3D | |
| RotatePt(Vec3D &still_pt, Vec3D &n, double cosa, double sina) | Vec3D | |
| ScaleCoord(double scale) | Vec3D | |
| Select() | MatPoint | [virtual] |
| Selected() const | MatPoint | [virtual] |
| SetAtomPos(Vec3D *pptr, const Vec3D *ptr1, const Vec3D *pptr2, const Vec3D *pptr3, double dist, double val_angle, double dih_angle) | Vec3D | [static] |
| SetCharge(double new_charge) | MatPoint | [inline] |
| SetFFSymbol(HaString new_ff_symbol) | MatPoint | [inline] |
| SetFromStr(const char *str) | Vec3D | |
| SetMass(double new_mass) | MatPoint | [inline] |
| SetParamFrom(const MatPoint &pt_ref) | MatPoint | |
| SetX(const double x_new) | Vec3D | |
| SetY(const double y_new) | Vec3D | |
| SetZ(const double z_new) | Vec3D | |
| sum(Vec3D &c, const Vec3D &vec1, const Vec3D &vec2) | Vec3D | [static] |
| UnSelect() | MatPoint | [virtual] |
| vdw_rad | MatPoint | |
| Vec3D() (defined in Vec3D) | Vec3D | |
| VecProduct(Vec3D &vprod, const Vec3D &vec1, const Vec3D &vec2) | Vec3D | [static] |
| ~MatPoint() (defined in MatPoint) | MatPoint | [virtual] |
| ~Vec3D() (defined in Vec3D) | Vec3D | [virtual] |
