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Public Member Functions | List of all members
MolInst Class Reference

#include <GromacsTopFile.h>

Public Member Functions

 MolInst (const GenericMol *theMol, int theNum)
 
int getNum () const
 
int getNumAtoms () const
 
int getNumRes () const
 
int getNumBonds () const
 
int getNumAngles () const
 
int getNumDihedrals () const
 
const GenericMolgetMol () const
 

Detailed Description

Definition at line 177 of file GromacsTopFile.h.

Constructor & Destructor Documentation

◆ MolInst()

MolInst::MolInst ( const GenericMol theMol,
int  theNum 
)

Definition at line 961 of file GromacsTopFile.C.

961  {
962  mol = theMol;
963  num = theNum;
964 }

Member Function Documentation

◆ getMol()

const GenericMol* MolInst::getMol ( ) const
inline

Definition at line 195 of file GromacsTopFile.h.

Referenced by getNumAngles(), getNumAtoms(), getNumBonds(), getNumDihedrals(), and getNumRes().

195 { return mol; }

◆ getNum()

int MolInst::getNum ( ) const
inline

Definition at line 185 of file GromacsTopFile.h.

Referenced by getNumAngles(), getNumAtoms(), getNumBonds(), getNumDihedrals(), and getNumRes().

185 { return num; }

◆ getNumAngles()

int MolInst::getNumAngles ( ) const

Definition at line 973 of file GromacsTopFile.C.

References getMol(), getNum(), and GenericMol::getNumAngles().

973  {
974  return getMol()->getNumAngles() * getNum();
975 }
int getNumAngles() const
const GenericMol * getMol() const
int getNum() const

◆ getNumAtoms()

int MolInst::getNumAtoms ( ) const

Definition at line 967 of file GromacsTopFile.C.

References getMol(), getNum(), and GenericMol::getNumAtoms().

967  {
968  return getMol()->getNumAtoms() * getNum();
969 }
const GenericMol * getMol() const
int getNum() const
int getNumAtoms() const

◆ getNumBonds()

int MolInst::getNumBonds ( ) const

Definition at line 970 of file GromacsTopFile.C.

References getMol(), getNum(), and GenericMol::getNumBonds().

970  {
971  return getMol()->getNumBonds() * getNum();
972 }
const GenericMol * getMol() const
int getNumBonds() const
int getNum() const

◆ getNumDihedrals()

int MolInst::getNumDihedrals ( ) const

Definition at line 976 of file GromacsTopFile.C.

References getMol(), getNum(), and GenericMol::getNumDihedrals().

976  {
977  return getMol()->getNumDihedrals() * getNum();
978 }
const GenericMol * getMol() const
int getNum() const
int getNumDihedrals() const

◆ getNumRes()

int MolInst::getNumRes ( ) const

Definition at line 979 of file GromacsTopFile.C.

References getMol(), getNum(), and GenericMol::getNumRes().

979  {
980  return getMol()->getNumRes()
981  * getNum();
982 }
const GenericMol * getMol() const
int getNum() const
int getNumRes() const

The documentation for this class was generated from the following files: