OBFloatGrid Member List

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

_halfSpaceOBFloatGrid [protected]
_inv_spaOBFloatGrid [protected]
_ivalOBFloatGrid [protected]
_midxOBFloatGrid [protected]
_midyOBFloatGrid [protected]
_midzOBFloatGrid [protected]
_spacingOBFloatGrid [protected]
_valuesOBFloatGrid [protected]
_vdataOBBase [protected]
_xAxisOBFloatGrid [protected]
_xdimOBFloatGrid [protected]
_xmaxOBGrid [protected]
_xminOBGrid [protected]
_yAxisOBFloatGrid [protected]
_ydimOBFloatGrid [protected]
_ymaxOBGrid [protected]
_yminOBGrid [protected]
_zAxisOBFloatGrid [protected]
_zdimOBFloatGrid [protected]
_zmaxOBGrid [protected]
_zminOBGrid [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 > *)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]
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 &, const OBFloatGrid &)OBFloatGrid [friend]
operator>>(std::istream &, OBFloatGrid &)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
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]