Result

[ DockingLib | Source | Keywords | Summary | Ancestors | All Members | Descendants ]

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KEYWORD

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CHANGES LOG

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GOALS

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USAGE

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Result() ;

  Result() ;

Function is currently defined inline.

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Result(RigidTrans3 tr, int geomScore, float maxPenetration, float interfaceArea, int activeSite1, int activeSite2, int interactingScore, float aceScore, float buriedNonPolar, float energyScore);

  Result(RigidTrans3 tr, int geomScore, float maxPenetration, float interfaceArea,
////
	 int activeSite1, int activeSite2, int interactingScore, 
////
	 float aceScore, float buriedNonPolar, float energyScore);

Function is currently defined inline.

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int getScore() const ;

  int getScore() const                      
;

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unsigned int getRank() const ;

  unsigned int getRank() const                 
;

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float getRMSD() const ;

  float getRMSD() const                 
;

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float getiRMSD() const ;

  float getiRMSD() const                  
;

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int getGeomScore() const ;

  int getGeomScore() const                      
;

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float getMaxPenetration() const ;

  float getMaxPenetration() const                           
;

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float getInterfaceArea() const ;

  float getInterfaceArea() const                          
;

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float getACEScore() const ;

  float getACEScore() const                     
;

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float getBuriedNonPolar() const ;

  float getBuriedNonPolar() const                            
;

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float getEnergyScore() const ;

  float getEnergyScore() const                        
;

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unsigned int getClusterNumber() const ;

  unsigned int getClusterNumber() const                          
;

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float getDistance() const ;

  float getDistance() const                      
;

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const RigidTrans3& rigidTrans() const ;

  const RigidTrans3& rigidTrans() const                 
;

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void setScore(int s) ;

  void setScore(int s)                   
;

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void setRank(unsigned int r) ;

  void setRank(unsigned int r)              
;

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void setRMSD(float r) ;

  void setRMSD(float r)              
;

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void setiRMSD(float r) ;

  void setiRMSD(float r)               
;

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void setGeomScore(int s) ;

  void setGeomScore(int s)                   
;

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void setMaxPenetration(float s) ;

  void setMaxPenetration(float s)                         
;

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void setActiveSite1Score(int s) ;

  void setActiveSite1Score(int s)                      
;

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void setActiveSite2Score(int s) ;

  void setActiveSite2Score(int s)                      
;

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void setInteractingScore(int s) ;

  void setInteractingScore(int s)                          
;

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void setACEScore(float s) ;

  void setACEScore(float s)                      
;

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void setBuriedNonPolar(float r) ;

  void setBuriedNonPolar(float r)                        
;

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void setEnergyScore(float s) ;

  void setEnergyScore(float s)                     
;

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void setClusterNumber(unsigned int num) ;

  void setClusterNumber(unsigned int num)                         
;

Function is currently defined inline.

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void setDistance(float d) ;

  void setDistance(float d)                   
;

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void setRigidTrans(const RigidTrans3& t) ;

  void setRigidTrans(const RigidTrans3& t)                               
;

Function is currently defined inline.

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friend istream& operator>>(istream& s, Result& res) ;

  friend istream& operator>>(istream& s, Result& res)                                                          ;

Function is currently defined inline.

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friend ostream& operator<<(ostream& s, const Result& p) ;

  friend ostream& operator<<(ostream& s, const Result& p)                                                                             ;

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void printHeader(ostream& outStream) ;

  static void printHeader(ostream& outStream)                                             ;

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unsigned int rank_;

  unsigned int rank_; 

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float rmsd_;

  float rmsd_;

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float irmsd_;

  float irmsd_;

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int geomScore_;

  int geomScore_;

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float maxPenetration_;

  float maxPenetration_;

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float interfaceArea_;

  float interfaceArea_;

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int activeSite1_;

  int activeSite1_;

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int activeSite2_;

  int activeSite2_;

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int interactingScore_;

  int interactingScore_; // surface score for as1 as2 contacts

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float aceScore_;

  float aceScore_; // desolvation score

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float buriedNonPolar_;

  float buriedNonPolar_;

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float energyScore_;

  float energyScore_;

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unsigned int clusterNumber_;

  unsigned int clusterNumber_;

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float distance_;

  float distance_; // in case distance constraint was given

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All Members

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Ancestors

• RigidTrans3

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Descendants

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