#include <PBondShell.h>
Inheritance diagram for PBondShell:
Public Member Functions | |
PBondShell () | |
PBondShell (const string &atomId1, const string &atomId2, bool isDOF) | |
string | getAtomId1 () const |
string | getAtomId2 () const |
bool | isDOF () const |
PBondShell::PBondShell | ( | ) | [inline] |
Constructs a new PBondShell in an uninitialized state. Do not call this constructor; it is only included to prevent compiler errors.
PBondShell::PBondShell | ( | const string & | atomId1, | |
const string & | atomId2, | |||
bool | isDOF | |||
) | [inline] |
Constructs a new PBondShell between the specified atoms. The PBondShell will represent a degree of freedom if and only if isDOF is true.
string PBondShell::getAtomId1 | ( | ) | const [inline] |
Returns the ID of the first atom in this bond.
string PBondShell::getAtomId2 | ( | ) | const [inline] |
Returns the ID of the second atom in this bond.
bool PBondShell::isDOF | ( | ) | const [inline] |
Returns true if this bond is a degree of freedom, false otherwise.
Reimplemented in PBlockBondShell.