denoptim.integration.tinker.TinkerBond Class Reference

Inheritance diagram for denoptim.integration.tinker.TinkerBond:

Collaboration diagram for denoptim.integration.tinker.TinkerBond:

Public Member Functions
	TinkerBond (TinkerAtom a1, TinkerAtom a2)
	Bond constructor. More...
TinkerAtom	getAtom (int index)
	Get the constituent TinkerAtom specified by index. More...

Private Attributes
TinkerAtom	atoms []

Detailed Description

Author

Vishwesh Venkatraman

Definition at line 25 of file TinkerBond.java.

Constructor & Destructor Documentation

TinkerBond()

denoptim.integration.tinker.TinkerBond.TinkerBond	(	TinkerAtom	a1,
		TinkerAtom	a2
	)

Bond constructor.

Parameters

a1	Atom number 1.
a2	Atom number 2.

Definition at line 37 of file TinkerBond.java.

References denoptim.integration.tinker.TinkerBond.atoms, and denoptim.integration.tinker.TinkerAtom.getXYZIndex().

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Member Function Documentation

getAtom()

TinkerAtom denoptim.integration.tinker.TinkerBond.getAtom

(

int

index

)

Get the constituent TinkerAtom specified by index.

Parameters

index

a int.

Returns

a TinkerAtom object.

Definition at line 62 of file TinkerBond.java.

References denoptim.integration.tinker.TinkerBond.atoms.

Member Data Documentation

atoms

TinkerAtom denoptim.integration.tinker.TinkerBond.atoms[]

private

Definition at line 27 of file TinkerBond.java.

Referenced by denoptim.integration.tinker.TinkerBond.getAtom(), and denoptim.integration.tinker.TinkerBond.TinkerBond().

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

• /github/workspace/src/main/java/denoptim/integration/tinker/TinkerBond.java