Package org.jmol.smiles
Class PolyhedronStereoSorter
- java.lang.Object
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- org.jmol.smiles.PolyhedronStereoSorter
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- All Implemented Interfaces:
java.util.Comparator<java.lang.Object[]>
class PolyhedronStereoSorter extends java.lang.Object implements java.util.Comparator<java.lang.Object[]>
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Field Summary
Fields Modifier and Type Field Description private javajs.util.V3
align1
private javajs.util.V3
align2
private static float
MIN_ALIGNED
private javajs.util.V3
vRef
private javajs.util.V3
vTemp
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Constructor Summary
Constructors Constructor Description PolyhedronStereoSorter()
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description int
compare(java.lang.Object[] a, java.lang.Object[] b)
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)
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Field Detail
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vTemp
private javajs.util.V3 vTemp
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vRef
private javajs.util.V3 vRef
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align1
private javajs.util.V3 align1
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align2
private javajs.util.V3 align2
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MIN_ALIGNED
private static final float MIN_ALIGNED
- See Also:
- Constant Field Values
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Method Detail
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setRef
void setRef(javajs.util.V3 vRef)
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compare
public int compare(java.lang.Object[] a, java.lang.Object[] b)
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 interfacejava.util.Comparator<java.lang.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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