CmapKey Struct Reference

Stores the two torsion keys that identify one CMAP interaction. More...

#include <CharmmParameters.h>

Public Member Functions
	CmapKey (const DihedralKey &d1, const DihedralKey &d2)
	Constructs a CMAP key by copying two torsion keys.

Public Attributes
DihedralKey	dih1
DihedralKey	dih2

Detailed Description

Stores the two torsion keys that identify one CMAP interaction.

CMAP records are not currently parsed or packed by CharmmParameters; this value type is retained for the unfinished extension point.

Constructor & Destructor Documentation

CmapKey()

CmapKey::CmapKey ( const DihedralKey &  d1, const DihedralKey &  d2  )

inline

Constructs a CMAP key by copying two torsion keys.

Parameters

[in]	d1	First torsion key.
[in]	d2	Second torsion key.

Exceptions

std::bad_alloc

If copying either key requires an allocation that fails.

Member Data Documentation

dih1

DihedralKey CmapKey::dih1

Stores the first torsion key.

dih2

DihedralKey CmapKey::dih2

Stores the second torsion key.