ComputeQMPntChrg Struct Reference

List of all members.

Public Member Functions

 ComputeQMPntChrg ()
 ComputeQMPntChrg (Position posInit, float chrgInit, int idInit, Real qmInit, int hiInit, Real newDist, Mass newM, int newvdwType)
 ComputeQMPntChrg (const ComputeQMPntChrg &ref)
bool operator< (const ComputeQMPntChrg &ref)
bool operator== (const ComputeQMPntChrg &ref)

Public Attributes

Position position
float charge
int id
Real qmGrpID
int homeIndx
Real dist
Mass mass
int vdwType

Detailed Description

Definition at line 125 of file ComputeQM.C.


Constructor & Destructor Documentation

ComputeQMPntChrg::ComputeQMPntChrg (  )  [inline]

Definition at line 134 of file ComputeQM.C.

00134                        : position(0), charge(0), id(-1), qmGrpID(-1), 
00135         homeIndx(-1), dist(0), mass(0), vdwType(0) {}

ComputeQMPntChrg::ComputeQMPntChrg ( Position  posInit,
float  chrgInit,
int  idInit,
Real  qmInit,
int  hiInit,
Real  newDist,
Mass  newM,
int  newvdwType 
) [inline]

Definition at line 136 of file ComputeQM.C.

References charge, dist, homeIndx, mass, position, qmGrpID, and vdwType.

00138                                                 {
00139         position = posInit;
00140         charge = chrgInit;
00141         id = idInit;
00142         qmGrpID = qmInit;
00143         homeIndx = hiInit;
00144         dist = newDist;
00145         mass = newM;
00146         vdwType = newvdwType;
00147     }

ComputeQMPntChrg::ComputeQMPntChrg ( const ComputeQMPntChrg ref  )  [inline]

Definition at line 148 of file ComputeQM.C.

References charge, dist, homeIndx, id, mass, position, qmGrpID, and vdwType.

00148                                                   {
00149         position = ref.position;
00150         charge = ref.charge;
00151         id = ref.id;
00152         qmGrpID = ref.qmGrpID;
00153         homeIndx = ref.homeIndx;
00154         dist = ref.dist;
00155         mass = ref.mass;
00156         vdwType = ref.vdwType;
00157     }


Member Function Documentation

bool ComputeQMPntChrg::operator< ( const ComputeQMPntChrg ref  )  [inline]

Definition at line 159 of file ComputeQM.C.

References id.

00159                                                  {
00160         return (id < ref.id);
00161     }

bool ComputeQMPntChrg::operator== ( const ComputeQMPntChrg ref  )  [inline]

Definition at line 162 of file ComputeQM.C.

References id.

00162                                                   {
00163         return (id == ref.id) ;
00164     }


Member Data Documentation

float ComputeQMPntChrg::charge

Definition at line 127 of file ComputeQM.C.

Referenced by ComputeQMPntChrg(), and ComputeQMMgr::recvPartQM().

Real ComputeQMPntChrg::dist

Definition at line 131 of file ComputeQM.C.

Referenced by ComputeQMPntChrg(), and ComputeQMMgr::recvPartQM().

int ComputeQMPntChrg::homeIndx

Definition at line 130 of file ComputeQM.C.

Referenced by ComputeQMPntChrg(), and ComputeQMMgr::recvPartQM().

int ComputeQMPntChrg::id

Definition at line 128 of file ComputeQM.C.

Referenced by ComputeQMPntChrg(), operator<(), operator==(), and ComputeQMMgr::recvPartQM().

Mass ComputeQMPntChrg::mass

Definition at line 132 of file ComputeQM.C.

Referenced by ComputeQMPntChrg(), and ComputeQMMgr::recvPartQM().

Position ComputeQMPntChrg::position

Definition at line 126 of file ComputeQM.C.

Referenced by ComputeQMPntChrg(), and ComputeQMMgr::recvPartQM().

Real ComputeQMPntChrg::qmGrpID

Definition at line 129 of file ComputeQM.C.

Referenced by ComputeQMPntChrg(), and ComputeQMMgr::recvPartQM().

int ComputeQMPntChrg::vdwType

Definition at line 133 of file ComputeQM.C.

Referenced by ComputeQMPntChrg(), and ComputeQMMgr::recvPartQM().


The documentation for this struct was generated from the following file:
Generated on Sun Sep 24 01:17:17 2017 for NAMD by  doxygen 1.4.7