Open Babel  3.0
OBProxGrid Member List

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

_gridtypeOBProxGridprotected
_incOBProxGridprotected
_maxincOBProxGridprotected
_nxincOBProxGridprotected
_nyincOBProxGridprotected
_nzincOBProxGridprotected
_vdataOBBaseprotected
_xmaxOBGridprotected
_xminOBGridprotected
_ymaxOBGridprotected
_yminOBGridprotected
_zmaxOBGridprotected
_zminOBGridprotected
BeginData()OBBaseinline
CastAndClear(bool clear=true)OBBaseinline
cellOBProxGridprotected
ClassDescription()OBBaseinlinestatic
Clear()OBBasevirtual
CloneData(OBGenericData *d)OBBase
DataSize() constOBBaseinline
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 *)OBBaseinlinevirtual
EndData()OBBaseinline
GetAllData(const unsigned int type)OBBase
GetData(const unsigned int type)OBBase
GetData(const std::string &)OBBase
GetData(const char *)OBBase
GetData()OBBaseinline
GetData(DataOrigin source)OBBase
GetProxVector(double, double, double)OBProxGrid
GetProxVector(double *)OBProxGrid
GetTitle(bool replaceNewlines=true) constOBBaseinlinevirtual
GetXmax() constOBGridinline
GetXmin() constOBGridinline
GetYmax() constOBGridinline
GetYmin() constOBGridinline
GetZmax() constOBGridinline
GetZmin() constOBGridinline
HasData(const std::string &)OBBase
HasData(const char *)OBBase
HasData(const unsigned int type)OBBase
Init(OBMol &box)OBGridvirtual
LipoGrid()OBProxGridinline
OBGrid()OBGridinline
OBProxGrid(int gridtype=0)OBProxGridinline
PointIsInBox(double x, double y, double z)OBGridinline
PointIsInBox(double *c)OBGridinline
PointIsInBox(vector3 v)OBGridinline
PolarGrid()OBProxGridinline
SetData(OBGenericData *d)OBBaseinline
SetGridType(int gridtype)OBProxGridinline
SetTitle(const char *)OBBaseinlinevirtual
Setup(OBMol &mol, OBMol &box, double cutoff, double resolution=0.5)OBProxGrid
Setup(OBMol &mol, OBMol &box, double cutoff, std::vector< bool > &use, double resolution=0.5)OBProxGrid
~OBBase()OBBaseinlinevirtual
~OBProxGrid()OBProxGridinline