Package org.jmol.smiles
Class PolyhedronStereoSorter
java.lang.Object
org.jmol.smiles.PolyhedronStereoSorter
- All Implemented Interfaces:
Comparator<Object[]>
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Field Summary
FieldsModifier and TypeFieldDescriptionprivate javajs.util.V3
private javajs.util.V3
private static final float
private javajs.util.V3
private javajs.util.V3
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionint
Comparison is by torsion angle, as set previously and passed in as Float a[1] and b[1].(package private) boolean
isAligned
(javajs.util.T3 pt1, javajs.util.T3 pt2, javajs.util.T3 pt3) check alignment, within 10 degrees is considered aligned.(package private) void
setRef
(javajs.util.V3 vRef) Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
Methods inherited from interface java.util.Comparator
equals, reversed, thenComparing, thenComparing, thenComparing, thenComparingDouble, thenComparingInt, thenComparingLong
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Field Details
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vTemp
private javajs.util.V3 vTemp -
vRef
private javajs.util.V3 vRef -
align1
private javajs.util.V3 align1 -
align2
private javajs.util.V3 align2 -
MIN_ALIGNED
private static final float MIN_ALIGNED- See Also:
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Constructor Details
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PolyhedronStereoSorter
PolyhedronStereoSorter()
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Method Details
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setRef
void setRef(javajs.util.V3 vRef) -
compare
Comparison is by torsion angle, as set previously and passed in as Float a[1] and b[1]. If these two are within 1 degree of each other, then we compare the dot product of the reference vector and the vector from a to b, from points stored as a[2] and b[2].- Specified by:
compare
in interfaceComparator<Object[]>
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isAligned
boolean isAligned(javajs.util.T3 pt1, javajs.util.T3 pt2, javajs.util.T3 pt3) check alignment, within 10 degrees is considered aligned.- Parameters:
pt1
-pt2
-pt3
-- Returns:
- true if within 10 degrees
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