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Extended JavaDoc, explaining how these IBond.Stereo types define the …
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…stereocenter, and indicating for each type explicitly which atom is the stereocenter

Signed-off-by: Rajarshi  Guha <rajarshi.guha@gmail.com>
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egonw authored and rajarshi committed Feb 21, 2010
1 parent 8d5ee5c commit 35af889
Showing 1 changed file with 16 additions and 8 deletions.
24 changes: 16 additions & 8 deletions src/main/org/openscience/cdk/interfaces/IBond.java
Expand Up @@ -49,21 +49,29 @@ public enum Order {
}

/**
* Enumeration of possible stereo types of bonds.
* Enumeration of possible stereo types of two-atom bonds. The
* Stereo type defines not just define the stereochemistry, but also the
* which atom is the stereo center for which the Stereo is defined.
* The first atom in the IBond (index = 0) is the <i>start</i> atom, while
* the second atom (index = 1) is the <i>end</i> atom.
*/
public enum Stereo {
/** A bonds for which there is no stereochemistry. */
/** A bond for which there is no stereochemistry. */
NONE,
/** A bonds pointing up of which end is above the drawing plane. */
/** A bond pointing up of which the start atom is the stereocenter and
* the end atom is above the drawing plane. */
UP,
/** A bonds pointing up of which start is above the drawing plane. */
/** A bond pointing up of which the end atom is the stereocenter and
* the start atom is above the drawing plane. */
UP_INVERTED,
/** A bonds pointing down of which start is above the drawing plane. */
/** A bond pointing down of which the start atom is the stereocenter
* and the end atom is below the drawing plane. */
DOWN,
/** A bonds pointing down of which end is above the drawing plane. */
/** A bond pointing down of which the end atom is the stereocenter and
* the start atom is below the drawing plane. */
DOWN_INVERTED,
/** A bond for which there is stereochemistry, we just don't know
* which one.
/** A bond for which there is stereochemistry, we just do not know
* if it is UP or DOWN. The start atom is the stereocenter.
*/
UP_OR_DOWN,
/** Indication that this double bond has a fixed, but unknown E/Z
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