ChemSurfacePoint


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Class Summary

class ChemSurfacePoint
: public SurfacePoint
{
public:
// Constructors
ChemSurfacePoint(const SurfacePoint& sp) ;
ChemSurfacePoint(const SurfacePoint& sp, int id, float vf, Vector3 norm) ;
// modifiers
void setId(int id) ;
void setVF(float vf) ;
void setVNormal(const Vector3& vNormal) ;
void setChemType(int chemType) ;
void setResidueType(char type) ;
void setInterfacePoint() ;
void unsetInterfacePoint() ;
bool isInterfacePoint() const ;
void setActiveSite() ;
void unsetActiveSite() ;
bool isActiveSite() const ;
void setBlockedSite() ;
void unsetBlockedSite() ;
bool isBlockedSite() const ;
void setNodeType();
// Inspectors
int getId() const ;
float getVF() const ;
Vector3 getVNormal() const ;
int getChemType() const ;
const NodeType& getNodeType() const ;
char getResidueType() const ;
const ChemAtom& getClosestAtom(const ChemMolecule& molecule) const;
static char* getNodeTypeName(NodeType nType);
bool isBackBone() const ;
friend ostream& operator<<(ostream& s, const ChemSurfacePoint& point);
static float concaveBound1;
static float convexBound1;
static float concaveBound2;
static float convexBound2;
protected:
}; // ChemSurfacePoint

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KEYWORD

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AUTHORS

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CHANGES LOG

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GOALS

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USAGE

		

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ChemSurfacePoint(const SurfacePoint& sp) ;

  ChemSurfacePoint(const SurfacePoint& sp) ;

Function is currently defined inline.


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ChemSurfacePoint(const SurfacePoint& sp, int id, float vf, Vector3 norm) ;

  ChemSurfacePoint(const SurfacePoint& sp, int id, float vf, Vector3 norm) ;

Function is currently defined inline.


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void setId(int id) ;

  void setId(int id)              
;

Function is currently defined inline.


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void setVF(float vf) ;

  void setVF(float vf)              
;

Function is currently defined inline.


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void setVNormal(const Vector3& vNormal) ;

  void setVNormal(const Vector3& vNormal)                        
;

Function is currently defined inline.


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void setChemType(int chemType) ;

  void setChemType(int chemType)                          
;

Function is currently defined inline.


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void setResidueType(char type) ;

  void setResidueType(char type)                         
;

Function is currently defined inline.


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void setInterfacePoint() ;

  void setInterfacePoint()                            
;

Function is currently defined inline.


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void unsetInterfacePoint() ;

  void unsetInterfacePoint()                             
;

Function is currently defined inline.


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bool isInterfacePoint() const ;

  bool isInterfacePoint() const                            
;

Function is currently defined inline.


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void setActiveSite() ;

  void setActiveSite()                        
;

Function is currently defined inline.


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void unsetActiveSite() ;

  void unsetActiveSite()                         
;

Function is currently defined inline.


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bool isActiveSite() const ;

  bool isActiveSite() const                         
;

Function is currently defined inline.


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void setBlockedSite() ;

  void setBlockedSite()                         
;

Function is currently defined inline.


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void unsetBlockedSite() ;

  void unsetBlockedSite()                          
;

Function is currently defined inline.


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bool isBlockedSite() const ;

  bool isBlockedSite() const                          
;

Function is currently defined inline.


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void setNodeType();

  void setNodeType();

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int getId() const ;

  int getId() const                
;

Function is currently defined inline.


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float getVF() const ;

  float getVF() const                
;

Function is currently defined inline.


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Vector3 getVNormal() const ;

  Vector3 getVNormal() const                     
;

Function is currently defined inline.


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int getChemType() const ;

  int getChemType() const                      
;

Function is currently defined inline.


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const NodeType& getNodeType() const ;

  const NodeType& getNodeType() const                      
;

Function is currently defined inline.


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char getResidueType() const ;

  char getResidueType() const                          
;

Function is currently defined inline.


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const ChemAtom& getClosestAtom(const ChemMolecule& molecule) const;

  const ChemAtom& getClosestAtom(const ChemMolecule& molecule) const;

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char* getNodeTypeName(NodeType nType);

  static char* getNodeTypeName(NodeType nType);

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bool isBackBone() const ;

  bool isBackBone() const                                                            
;

Function is currently defined inline.


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friend ostream& operator<<(ostream& s, const ChemSurfacePoint& point);

  friend ostream& operator<<(ostream& s, const ChemSurfacePoint& point);

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float concaveBound1;

  static float concaveBound1;

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float convexBound1;

  static float convexBound1;

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float concaveBound2;

  static float concaveBound2;

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float convexBound2;

  static float convexBound2;

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All Members

public:
// modifiers
void setId(int id) ;
void setVF(float vf) ;
void setVNormal(const Vector3& vNormal) ;
void setChemType(int chemType) ;
void setResidueType(char type) ;
void setInterfacePoint() ;
void unsetInterfacePoint() ;
bool isInterfacePoint() const ;
void setActiveSite() ;
void unsetActiveSite() ;
bool isActiveSite() const ;
void setBlockedSite() ;
void unsetBlockedSite() ;
bool isBlockedSite() const ;
void setNodeType();
// Inspectors
int getId() const ;
float getVF() const ;
Vector3 getVNormal() const ;
int getChemType() const ;
const NodeType& getNodeType() const ;
char getResidueType() const ;
const ChemAtom& getClosestAtom(const ChemMolecule& molecule) const;
static char* getNodeTypeName(NodeType nType);
bool isBackBone() const ;
friend ostream& operator<<(ostream& s, const ChemSurfacePoint& point);
static float concaveBound1;
static float convexBound1;
static float concaveBound2;
static float convexBound2;
protected:

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Ancestors

Inheritance chain for ChemSurfacePoint:

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Descendants

Class is not inherited by any others.

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