public class SmilesMeasure
extends java.lang.Object
Modifier and Type | Field and Description |
---|---|
(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 and Description |
---|
SmilesMeasure(SmilesSearch search,
int index,
int type,
float min,
float max,
boolean isNot) |
Modifier and Type | Method and Description |
---|---|
(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() |
SmilesSearch search
int nPoints
int type
int index
boolean isNot
private int[] indices
static final java.lang.String TYPES
private float min
private float max
private static final float radiansPerDegree
private final javax.vecmath.Point3f[] points
SmilesMeasure(SmilesSearch search, int index, int type, float min, float max, boolean isNot)
public java.lang.String toString()
toString
in class java.lang.Object
boolean addPoint(int index)
boolean check()
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)