[ DockingLib | Source | Keywords | Summary | Ancestors | All Members | Descendants ]
public: | |
Net(ChemSurface& surface); | |
ChemSurface& | getProteinSurface() ; |
const SurfaceNet& | getSurfaceNet() const ; |
void | getNodeCoordinates(const leda::node v, Vector3& coord) ; |
void | getNodeNormal(const leda::node v, Vector3& norm) ; |
ChemSurfacePoint* | getSurfacePoint(const leda::node v) ; |
float | edgeDist(const leda::edge e) const ; |
bool | isEdge(const int id1, const int id2) const; |
float | geoDist(const int id1, const int id2) const ; |
void | computeGeoDist(vector< bool>& nodes); |
int | buildSurfaceNet(); |
void | output2PDB(ofstream& outputFile, bool type); |
protected: | |
ChemSurface& | chemSurface_; |
SurfaceNet | surfaceNet_; |
vector< | leda::node> id2node; |
leda::node_map2< float> *DIST; |
Net(ChemSurface& surface);
Function is currently defined inline.
ChemSurface& getProteinSurface() ;
GROUP: member access functions
//
ChemSurface& getProteinSurface() ;
Function is currently defined inline.
const SurfaceNet& getSurfaceNet() const ;
const SurfaceNet& getSurfaceNet() const ;
Function is currently defined inline.
void getNodeCoordinates(const leda::node v, Vector3& coord) ;
GROUP: node functions
// get coordinate
void getNodeCoordinates(const leda::node v, Vector3& coord) ;
Function is currently defined inline.
void getNodeNormal(const leda::node v, Vector3& norm) ;
get normal
void getNodeNormal(const leda::node v, Vector3& norm) ;
Function is currently defined inline.
ChemSurfacePoint* getSurfacePoint(const leda::node v) ;
get surface point
ChemSurfacePoint* getSurfacePoint(const leda::node v) ;
Function is currently defined inline.
float edgeDist(const leda::edge e) const ;
get euclidean distance, stored in each edge
float edgeDist(const leda::edge e) const ;
Function is currently defined inline.
bool isEdge(const int id1, const int id2) const;
check if there is an edge between two nodes
bool isEdge(const int id1, const int id2) const;
float geoDist(const int id1, const int id2) const ;
geodesical distance
float geoDist(const int id1, const int id2) const ;
Function is currently defined inline.
void computeGeoDist(vector< bool>& nodes);
GROUP: methods
// compute geodesical distances for a set of nodes
void computeGeoDist(vector< bool>& nodes);
int buildSurfaceNet();
build surface graph
int buildSurfaceNet();
void output2PDB(ofstream& outputFile, bool type);
output graph to pdb
void output2PDB(ofstream& outputFile, bool type);
ChemSurface& chemSurface_;
SurfaceNet surfaceNet_;
vector< leda::node> id2node;
vector< leda::node> id2node;
leda::node_map2< float> *DIST;
leda::node_map2< float> *DIST;
public: | ||
---|---|---|
ChemSurface& | getProteinSurface() ; | |
const SurfaceNet& | getSurfaceNet() const ; | |
void | getNodeCoordinates(const leda::node v, Vector3& coord) ; | |
void | getNodeNormal(const leda::node v, Vector3& norm) ; | |
ChemSurfacePoint* | getSurfacePoint(const leda::node v) ; | |
float | edgeDist(const leda::edge e) const ; | |
bool | isEdge(const int id1, const int id2) const; | |
float | geoDist(const int id1, const int id2) const ; | |
void | computeGeoDist(vector< bool>& nodes); | |
int | buildSurfaceNet(); | |
void | output2PDB(ofstream& outputFile, bool type); | |
protected: | ||
ChemSurface& | chemSurface_; | |
SurfaceNet | surfaceNet_; | |
vector< | leda::node> id2node; | |
leda::node_map2< float> *DIST; |
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