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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: |
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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) ;
Function is currently defined inline.
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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() ;
Function is currently defined inline.
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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() ;
Function is currently defined inline.
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void unsetActiveSite() ;
Function is currently defined inline.
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bool isActiveSite() const ;
Function is currently defined inline.
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void setBlockedSite() ;
Function is currently defined inline.
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void unsetBlockedSite() ;
Function is currently defined inline.
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bool isBlockedSite() const ;
Function is currently defined inline.
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void setNodeType();
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int getId() const ;
Function is currently defined inline.
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float getVF() const ;
Function is currently defined inline.
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Vector3 getVNormal() const ;
Function is currently defined inline.
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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 ;
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 ;
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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static float concaveBound1;
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static float convexBound1;
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static float concaveBound2;
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static float convexBound2;
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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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