LSSSubsDat Struct Reference

#include <ComputeQM.h>

Public Member Functions
	LSSSubsDat ()
	LSSSubsDat (const LSSSubsDat &ref)
	LSSSubsDat (int newOrigID)
	LSSSubsDat (int newOrigID, int ID, int vdw, Real charge)
LSSSubsDat &	operator= (const LSSSubsDat &ref)
bool	operator< (const LSSSubsDat &ref)
bool	operator== (const LSSSubsDat &ref)

Public Attributes
int	origID
int	newID
int	newVdWType
Real	newCharge

Detailed Description

Definition at line 30 of file ComputeQM.h.

Constructor & Destructor Documentation

LSSSubsDat() [1/4]

LSSSubsDat::LSSSubsDat ( )

inline

Definition at line 36 of file ComputeQM.h.

{}

LSSSubsDat() [2/4]

LSSSubsDat::LSSSubsDat ( const LSSSubsDat &  ref )

inline

Definition at line 37 of file ComputeQM.h.

References newCharge, newID, newVdWType, and origID.

                                      {
        origID = ref.origID;
        newID = ref.newID;
        newVdWType = ref.newVdWType;
        newCharge = ref.newCharge;
    }

LSSSubsDat() [3/4]

LSSSubsDat::LSSSubsDat ( int  newOrigID )

inline

Definition at line 43 of file ComputeQM.h.

References origID.

                              {
        origID = newOrigID;
    }

LSSSubsDat() [4/4]

LSSSubsDat::LSSSubsDat ( int  newOrigID, int  ID, int  vdw, Real  charge  )

inline

Definition at line 46 of file ComputeQM.h.

References newCharge, newID, newVdWType, and origID.

                                                            {
        origID = newOrigID;
        newID = ID;
        newVdWType = vdw;
        newCharge = charge;
    }

Member Function Documentation

operator<()

bool LSSSubsDat::operator< ( const LSSSubsDat &  ref )

inline

Definition at line 61 of file ComputeQM.h.

References origID.

                                          {
        return (origID < ref.origID);
    }

operator=()

LSSSubsDat& LSSSubsDat::operator= ( const LSSSubsDat &  ref )

inline

Definition at line 53 of file ComputeQM.h.

References newCharge, newID, newVdWType, and origID.

                                                 {
        origID = ref.origID;
        newID = ref.newID;
        newVdWType = ref.newVdWType;
        newCharge = ref.newCharge;
        return *this ;
    }

operator==()

bool LSSSubsDat::operator== ( const LSSSubsDat &  ref )

inline

Definition at line 64 of file ComputeQM.h.

References origID.

                                           {
        return (origID == ref.origID) ;
    }

Member Data Documentation

newCharge

Real LSSSubsDat::newCharge

Definition at line 34 of file ComputeQM.h.

Referenced by LSSSubsDat(), operator=(), and HomePatch::qmSwapAtoms().

newID

int LSSSubsDat::newID

Definition at line 32 of file ComputeQM.h.

Referenced by LSSSubsDat(), operator=(), and HomePatch::qmSwapAtoms().

newVdWType

int LSSSubsDat::newVdWType

Definition at line 33 of file ComputeQM.h.

Referenced by LSSSubsDat(), operator=(), and HomePatch::qmSwapAtoms().

origID

int LSSSubsDat::origID

Definition at line 32 of file ComputeQM.h.

Referenced by LSSSubsDat(), operator<(), operator=(), and operator==().

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The documentation for this struct was generated from the following file:

• ComputeQM.h