_halfSpace | OBFloatGrid | [protected] |
_inv_spa | OBFloatGrid | [protected] |
_ival | OBFloatGrid | [protected] |
_midx | OBFloatGrid | [protected] |
_midy | OBFloatGrid | [protected] |
_midz | OBFloatGrid | [protected] |
_spacing | OBFloatGrid | [protected] |
_val | OBFloatGrid | [protected] |
_vdata | OBBase | [protected] |
_xdim | OBFloatGrid | [protected] |
_xmax | OBGrid | [protected] |
_xmin | OBGrid | [protected] |
_ydim | OBFloatGrid | [protected] |
_ymax | OBGrid | [protected] |
_ymin | OBGrid | [protected] |
_zdim | OBFloatGrid | [protected] |
_zmax | OBGrid | [protected] |
_zmin | OBGrid | [protected] |
BeginData() | OBBase | [inline] |
CastAndClear(bool clear=true) | OBBase | [inline] |
Center() | OBFloatGrid | [inline] |
ClassDescription() | OBBase | [inline, static] |
Clear() | OBBase | [virtual] |
CoordsToIndex(int *, double *) | OBFloatGrid | |
CoordsToIndex(double &x, double &y, double &z) | OBFloatGrid | |
DataSize() const | OBBase | [inline] |
DeleteData(unsigned int type) | OBBase | |
DeleteData(OBGenericData *) | OBBase | |
DeleteData(std::vector< OBGenericData * > &) | OBBase | |
DoTransformations(const std::map< std::string, std::string > *) | OBBase | [inline, virtual] |
EndData() | OBBase | [inline] |
GetData(const unsigned int type) | OBBase | |
GetData(const std::string &) | OBBase | |
GetData(const char *) | OBBase | |
GetData() | OBBase | [inline] |
GetData(DataOrigin source) | OBBase | |
GetDim(int *a) | OBFloatGrid | [inline] |
GetHalfSpace() const | OBFloatGrid | [inline] |
GetMax(double *a) | OBFloatGrid | [inline] |
GetMidpointVector() | OBFloatGrid | [inline] |
GetMin(double *a) | OBFloatGrid | [inline] |
GetScale() const | OBFloatGrid | [inline] |
GetSpacing() const | OBFloatGrid | [inline] |
GetSpacing(double &s) | OBFloatGrid | [inline] |
GetVals() | OBFloatGrid | [inline] |
GetXdim() const | OBFloatGrid | [inline] |
GetXmax() const | OBGrid | [inline] |
GetXmin() const | OBGrid | [inline] |
GetYdim() const | OBFloatGrid | [inline] |
GetYmax() const | OBGrid | [inline] |
GetYmin() const | OBGrid | [inline] |
GetZdim() const | OBFloatGrid | [inline] |
GetZmax() const | OBGrid | [inline] |
GetZmin() const | OBGrid | [inline] |
HasData(const std::string &) | OBBase | |
HasData(const char *) | OBBase | |
HasData(const unsigned int type) | OBBase | |
IndexToCoords(int idx, double &x, double &y, double &z) | OBFloatGrid | |
Init(OBMol &box, double spacing, double pad=0.0) | OBFloatGrid | |
OpenBabel::OBGrid::Init(OBMol &box) | OBGrid | [virtual] |
Inject(double x, double y, double z) | OBFloatGrid | |
Interpolate(double, double, double) | OBFloatGrid | |
InterpolateDerivatives(double, double, double, double *derivatives) | OBFloatGrid | |
OBFloatGrid() | OBFloatGrid | [inline] |
OBGrid() | OBGrid | [inline] |
operator<<(std::ostream &, const OBFloatGrid &) | OBFloatGrid | [friend] |
operator>>(std::istream &, OBFloatGrid &) | OBFloatGrid | [friend] |
PointIsInBox(double x, double y, double z) | OBGrid | [inline] |
PointIsInBox(double *c) | OBGrid | [inline] |
SetData(OBGenericData *d) | OBBase | [inline] |
SetVals(double *ptr) | OBFloatGrid | [inline] |
~OBBase() | OBBase | [inline, virtual] |
~OBFloatGrid() | OBFloatGrid | [inline] |