PolyhedronStereoSorter

java.lang.Object

org.jmol.smiles.PolyhedronStereoSorter

All Implemented Interfaces:: Comparator<Object[]>

class PolyhedronStereoSorter extends Object implements Comparator<Object[]>

Field Summary

Fields

Modifier and Type

Field

Description

private javajs.util.V3

align1

private javajs.util.V3

align2

private static final float

MIN_ALIGNED

private javajs.util.V3

vRef

private javajs.util.V3

vTemp
Constructor Summary

Constructors

Constructor

Description

PolyhedronStereoSorter()
Method Summary

Modifier and Type

Method

Description

int

compare(Object[] a, 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)

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

Field Details
- 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:
  
  Constant Field Values
Constructor Details
- PolyhedronStereoSorter
  
  PolyhedronStereoSorter()
Method Details
- setRef
  
  void setRef(javajs.util.V3 vRef)
- compare
  
  public int compare(Object[] a, 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 interface Comparator<Object[]>
- 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