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OBFloatGrid Member List

This is the complete list of members for OBFloatGrid, including all inherited members.

_halfSpace | OBFloatGrid | protected
_inv_spa | OBFloatGrid | protected
_ival | OBFloatGrid | protected
_midx | OBFloatGrid | protected
_midy | OBFloatGrid | protected
_midz | OBFloatGrid | protected
_spacing | OBFloatGrid | protected
_values | OBFloatGrid | protected
_vdata | OBBase | protected
_xAxis | OBFloatGrid | protected
_xdim | OBFloatGrid | protected
_xmax | OBGrid | protected
_xmin | OBGrid | protected
_yAxis | OBFloatGrid | protected
_ydim | OBFloatGrid | protected
_ymax | OBGrid | protected
_ymin | OBGrid | protected
_zAxis | OBFloatGrid | 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
CloneData(OBGenericData *d) | OBBase |
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 |
DeleteData(const std::string &s) | OBBase |
DoTransformations(const std::map< std::string, std::string > *, OBConversion *) | OBBase | inline virtual
EndData() | OBBase | inline
GetAllData(const unsigned int type) | OBBase |
GetData(const unsigned int type) | OBBase |
GetData(const std::string &) | OBBase |
GetData(const char *) | OBBase |
GetData() | OBBase | inline
GetData(DataOrigin source) | OBBase |
GetDataVector() | OBFloatGrid |
GetDim(int *a) | OBFloatGrid | inline
GetHalfSpace() const | OBFloatGrid | inline
GetMax() | OBFloatGrid | inline
GetMax(double *a) | OBFloatGrid | inline
GetMidpointVector() | OBFloatGrid | inline
GetMin() | OBFloatGrid | inline
GetMin(double *a) | OBFloatGrid | inline
GetScale() const | OBFloatGrid | inline
GetSpacing() const | OBFloatGrid | inline
GetSpacing(double &s) | OBFloatGrid | inline
GetTitle(bool replaceNewlines=true) const | OBBase | inline virtual
GetVals() | OBFloatGrid | inline
GetValue(int i, int j, int k) | OBFloatGrid | inline
GetXAxis() const | OBFloatGrid | inline
GetXdim() const | OBFloatGrid | inline
GetXmax() const | OBGrid | inline
GetXmin() const | OBGrid | inline
GetYAxis() const | OBFloatGrid | inline
GetYdim() const | OBFloatGrid | inline
GetYmax() const | OBGrid | inline
GetYmin() const | OBGrid | inline
GetZAxis() const | OBFloatGrid | 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 &os, const OBFloatGrid &fg) | OBFloatGrid | friend
operator>>(std::istream &is, OBFloatGrid &fg) | OBFloatGrid | friend
PointIsInBox(double x, double y, double z) | OBGrid | inline
PointIsInBox(double *c) | OBGrid | inline
PointIsInBox(vector3 v) | OBGrid | inline
SetData(OBGenericData *d) | OBBase | inline
SetLimits(const vector3 &origin, const vector3 &x, const vector3 &y, const vector3 &z) | OBFloatGrid |
SetLimits(const double origin[3], const double x[3], const double y[3], const double z[3]) | OBFloatGrid |
SetNumberOfPoints(int nx, int ny, int nz) | OBFloatGrid |
SetTitle(const char *) | OBBase | inline virtual
SetVals(const std::vector< double > &vals) | OBFloatGrid |
SetVals(double *ptr) | OBFloatGrid | inline
SetValue(int i, int j, int k, double val) | OBFloatGrid | inline
SetXAxis(vector3) | OBFloatGrid |
SetYAxis(vector3) | OBFloatGrid |
SetZAxis(vector3) | OBFloatGrid |
~OBBase() | OBBase | inline virtual
~OBFloatGrid() | OBFloatGrid | inline