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The Octet Molecular Representation Framework v0.8.2 | |||||||||
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A representation of the half plane concept. Imagine a plane defined
by the line connecting a central Atom and one of its neighbors,
and furthermore containing at least one additional neighbor Atom.
If this plane is bisected by the line, two HalfPLanes result. Neither of
these HalfPlane contain the two Atoms defining the line.
A HalfPlane contains three distict regions defined by bisecting it
along the axis perpendicular to the atom-neighbor line: (1) a region above the
bisecting line; (2) a region below the bisecting line; and (3) a region on the
line. The regions above and below the line may contain zero, one, or more
Atoms, arranged in order of increasing angle relative to the HalfPlane
axis. Only zero or one Atom may appear on the bisecting line (see:
getIntersectionAtom()).
A HalfPlane may or may not contain any Atoms, and
both cases can result from legal Configurations.
The HalfPlane interface is adapted from concepts presented in
a paper by Andreas Dietz (J. Chem. Inf. Comput. Sci. 1995, 35
, 787).
| Method Summary | |
int |
countAtoms()
Returns the number of Atoms contained by this HalfPlane. |
int |
countLowerAtoms()
Returns the number of Atoms contained in the lower region of this
HalfPlane. |
int |
countUpperAtoms()
Returns the number of Atoms contained in the upper region of this
HalfPlane. |
Atom |
getIntersectionAtom()
Returns the Atom located at the bisector of this HalfPlane,
or null if none exists. |
boolean |
hasIntersectionAtom()
Returns true if this HalfPlane has an Atom
located on the bisector, or false otherwise. |
AtomIterator |
iterateLowerAtoms()
Returns an iterator over all Atoms appearing in the lower region of
this HalfPlane. |
AtomIterator |
iterateUpperAtoms()
Returns an iterator over all Atoms appearing in the upper region of
this HalfPlane. |
| Method Detail |
public int countAtoms()
Atoms contained by this HalfPlane.
Atoms contained by this HalfPlanepublic AtomIterator iterateLowerAtoms()
Atoms appearing in the lower region of
this HalfPlane.
Atoms appearing in the lower region of
this HalfPlanepublic int countLowerAtoms()
Atoms contained in the lower region of this
HalfPlane.
Atoms contained in the lower region of this
HalfPlanepublic AtomIterator iterateUpperAtoms()
Atoms appearing in the upper region of
this HalfPlane.
Atoms appearing in the upper region of
this HalfPlanepublic int countUpperAtoms()
Atoms contained in the upper region of this
HalfPlane.
Atoms contained in the upper region of this
HalfPlanepublic Atom getIntersectionAtom()
Atom located at the bisector of this HalfPlane,
or null if none exists. This is an optional operation. Implementors
may throw an UnsupportedOperationException to indicate this.
Atom located at the bisector of this HalfPlane,
or null if none exists
java.lang.UnsupportedOperationExceptionpublic boolean hasIntersectionAtom()
true if this HalfPlane has an Atom
located on the bisector, or false otherwise. This is an optional
operation. Implementors may throw an UnsupportedOperationException
to indicate this.
HalfPlane has an Atom
located on the bisector, or false otherwise
java.lang.UnsupportedOperationException
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The Octet Molecular Representation Framework v0.8.2 | |||||||||
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