Energy

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

Quick Index

KEYWORD

AUTHORS

CHANGES LOG

GOALS

USAGE

Class Summary

Back to the top of Energy

KEYWORD

Back to the top of Energy

AUTHORS

Back to the top of Energy

CHANGES LOG

Back to the top of Energy

GOALS

Back to the top of Energy

USAGE

Back to the top of Energy

Energy();

    Energy();

Function is currently defined inline.

Back to the top of Energy

~Energy() ;

    virtual ~Energy()        ;

Function is currently defined inline.

Back to the top of Energy

REAL attrVdWEnergy() const ;

    REAL attrVdWEnergy() const                                         ;

Function is currently defined inline.

Back to the top of Energy

void setAttrVdWEnergy(REAL energy) ;

    void setAttrVdWEnergy(REAL energy)                                           ;

Function is currently defined inline.

Back to the top of Energy

REAL repVdWEnergy() const ;

    REAL repVdWEnergy() const                                        ;

Function is currently defined inline.

Back to the top of Energy

void setRepVdWEnergy(REAL energy) ;

    void setRepVdWEnergy(REAL energy)                                          ;

Function is currently defined inline.

Back to the top of Energy

REAL repElecEnergy() const ;

    REAL repElecEnergy() const                                       ;

Function is currently defined inline.

Back to the top of Energy

REAL attrElecEnergy() const ;

    REAL attrElecEnergy() const                                       ;

Function is currently defined inline.

Back to the top of Energy

REAL longRepElecEnergy() const ;

    REAL longRepElecEnergy() const                                        ;

Function is currently defined inline.

Back to the top of Energy

REAL longAttrElecEnergy() const ;

    REAL longAttrElecEnergy() const                                        ;

Function is currently defined inline.

Back to the top of Energy

void setLongAttrElecEnergy(REAL energy) ;

    void setLongAttrElecEnergy(REAL energy)                                          ;

Function is currently defined inline.

Back to the top of Energy

void setLongRepElecEnergy(REAL energy) ;

    void setLongRepElecEnergy(REAL energy)                                          ;

Function is currently defined inline.

Back to the top of Energy

void setAttrElecEnergy(REAL energy) ;

    void setAttrElecEnergy(REAL energy)                                         ;

Function is currently defined inline.

Back to the top of Energy

void setRepElecEnergy(REAL energy) ;

    void setRepElecEnergy(REAL energy)                                         ;

Function is currently defined inline.

Back to the top of Energy

REAL COMDistance() const ;

    REAL COMDistance() const                                   ;

Function is currently defined inline.

Back to the top of Energy

REAL HBEnergy() const ;

    REAL HBEnergy() const                                    ;

Function is currently defined inline.

Back to the top of Energy

void setHB_Energy(REAL energy) ;

    void setHB_Energy(REAL energy)                                      ;

Function is currently defined inline.

Back to the top of Energy

void setCOMDistance(REAL dist) ;

    void setCOMDistance(REAL dist)                                   ;

Function is currently defined inline.

Back to the top of Energy

REAL ACE_Energy() const ;

    REAL ACE_Energy() const                                     ;

Function is currently defined inline.

Back to the top of Energy

void setACE_Energy(REAL energy) ;

    void setACE_Energy(REAL energy)                                       ;

Function is currently defined inline.

Back to the top of Energy

REAL conformerProbEnergy() const ;

    REAL conformerProbEnergy() const                                               ;

Function is currently defined inline.

Back to the top of Energy

void setConformerProbEnergy(REAL conformerProbEnergy) ;

    void setConformerProbEnergy(REAL conformerProbEnergy)                                                              ;

Function is currently defined inline.

Back to the top of Energy

REAL piStack_Energy() const ;

    REAL piStack_Energy() const                                         ;

Function is currently defined inline.

Back to the top of Energy

void setPiStack_Energy(REAL en) ;

    void setPiStack_Energy(REAL en)                                       ;

Function is currently defined inline.

Back to the top of Energy

REAL catpiStack_Energy() const ;

    REAL catpiStack_Energy() const                                            ;

Function is currently defined inline.

Back to the top of Energy

void setcatPiStack_Energy(REAL en) ;

    void setcatPiStack_Energy(REAL en)                                          ;

Function is currently defined inline.

Back to the top of Energy

REAL aliphat_Energy() const ;

    REAL aliphat_Energy() const                                         ;

Function is currently defined inline.

Back to the top of Energy

void setAliphat_Energy(REAL en) ;

    void setAliphat_Energy(REAL en)                                       ;

Function is currently defined inline.

Back to the top of Energy

REAL globalEnergy() const ;

    REAL globalEnergy() const                                        ;

Function is currently defined inline.

Back to the top of Energy

void printInLine(ostream& s, unsigned short fieldWidth) const;

    void printInLine(ostream& s, unsigned short fieldWidth) const;

Back to the top of Energy

void printHeader(ostream& s, unsigned short fieldWidth, char *prefix );

    static void printHeader(ostream& s, unsigned short fieldWidth, char *prefix = "");

Back to the top of Energy

friend ostream& operator<<(ostream& s, const Energy& e);

    friend ostream& operator<<(ostream& s, const Energy& e);    

Back to the top of Energy

Energy& operator+=(const Energy& e)

    Energy& operator+=(const Energy& e)                                                                                                                                                                                                                                                                               

Back to the top of Energy

All Members

Back to the top of Energy

Ancestors

Back to the top of Energy

Descendants

Back to the top of Energy