Ethane Class Reference

The small hydrocarbon ethane, C₂H₆, which has a single torsion degree of freedom. More...

#include <Compound.h>

Inheritance diagram for Ethane:

List of all members.

Public Member Functions
	Ethane ()
Ethane &	setDefaultTorsionAngle (Angle angle)
	Sets dihedral angle about C-C bond.
Angle	calcDefaultTorsionAngle () const

---

Detailed Description

The small hydrocarbon ethane, C₂H₆, which has a single torsion degree of freedom.

---

Constructor & Destructor Documentation

Ethane

(

)

[inline]

References Compound::bondCompound(), Compound::convertInboardBondCenterToOutboard(), Compound::defineDihedralAngle(), Biotype::EthaneC(), Biotype::EthaneH(), Compound::nameAtom(), Compound::setBaseCompound(), Compound::setCompoundName(), Ethane::setDefaultTorsionAngle(), and Compound::setPdbResidueName().

---

Member Function Documentation

Angle calcDefaultTorsionAngle

(

)

const [inline]

Returns:

the default (initial) dihedral angle about the C-C bond

References Compound::calcDefaultDihedralAngle().

Ethane& setDefaultTorsionAngle

(

Angle

angle

)

[inline]

Sets dihedral angle about C-C bond.

Returns:

a reference to this Ethane object

Parameters:

angle

dihedral angle about C-C bond in radians

References Compound::setDefaultDihedralAngle().

Referenced by Ethane::Ethane().

---

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

• Compound.h