org.jmol.smiles
Class SmilesMeasure

java.lang.Object
  extended by org.jmol.smiles.SmilesMeasure

public class SmilesMeasure
extends java.lang.Object


Field Summary
(package private)  int index
           
private  int[] indices
           
(package private)  boolean isNot
           
private  float max
           
private  float min
           
(package private)  int nPoints
           
private  javax.vecmath.Point3f[] points
           
private static float radiansPerDegree
           
(package private)  SmilesSearch search
           
(package private)  int type
           
(package private) static java.lang.String TYPES
           
 
Constructor Summary
SmilesMeasure(SmilesSearch search, int index, int type, float min, float max, boolean isNot)
           
 
Method Summary
(package private)  boolean addPoint(int index)
           
(package private)  boolean check()
           
static void setTorsionData(javax.vecmath.Point3f pt1a, javax.vecmath.Point3f pt1, javax.vecmath.Point3f pt2, javax.vecmath.Point3f pt2a, SmilesSearch.VTemp v, boolean isAll)
           
 java.lang.String toString()
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait
 

Field Detail

search

SmilesSearch search

nPoints

int nPoints

type

int type

index

int index

isNot

boolean isNot

indices

private int[] indices

TYPES

static final java.lang.String TYPES
See Also:
Constant Field Values

min

private float min

max

private float max

radiansPerDegree

private static final float radiansPerDegree
See Also:
Constant Field Values

points

private final javax.vecmath.Point3f[] points
Constructor Detail

SmilesMeasure

SmilesMeasure(SmilesSearch search,
              int index,
              int type,
              float min,
              float max,
              boolean isNot)
Method Detail

toString

public java.lang.String toString()
Overrides:
toString in class java.lang.Object

addPoint

boolean addPoint(int index)

check

boolean check()

setTorsionData

public static void setTorsionData(javax.vecmath.Point3f pt1a,
                                  javax.vecmath.Point3f pt1,
                                  javax.vecmath.Point3f pt2,
                                  javax.vecmath.Point3f pt2a,
                                  SmilesSearch.VTemp v,
                                  boolean isAll)