starfish.chemistry
Class SpatialSet

java.lang.Object
  starfish.chemistry.SpatialSet

public class SpatialSet
extends java.lang.Object

Author:

Johnbruc

Field Summary

java.lang.String	altPos
Atom	atom
float	bfactor
float	blue
java.util.Vector	coords
int	displayStatus
float	green
int	labelStatus
float	occupancy
java.util.Vector	points
java.util.Vector	ppms
boolean[]	properties
float	red
PPMv	refPPMV
int	selected

Constructor Summary

SpatialSet(double ppmValue)

SpatialSet(float x, float y, float z)

SpatialSet(java.lang.String name, Atom atom)

Method Summary

void	addToSTARString(java.lang.StringBuilder result)
void	addToSTARString(java.lang.StringBuilder result, boolean includeSEQID)
boolean	addXYZtoSTAR(java.lang.StringBuilder result, int iStruct)
float	getBFactor()
java.lang.String	getFullName()
java.lang.String	getName()
float	getOccupancy()
Point3	getPoint()
Point3	getPoint(int i)
int	getPointCount()
boolean	getPointValidity(int i)
PPMv	getPPM(int i)
boolean	getProperty(int propIndex)
PPMv	getRefPPM()
int	getSelected()
boolean	isStereo()
int	pointCount()
void	setBFactor(float value)
void	setColor(float red, float green, float blue)
void	setDisplayStatus(int value)
void	setLabelStatus(int value)
void	setOccupancy(float value)
void	setPointValidity(int i, boolean validity)
void	setPPMValidity(int i, boolean validity)
void	setProperty(int propIndex)
void	setRefPPMValidity(boolean validity)
void	setSelected(int value)
void	unsetProperty(int propIndex)

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

atom

public Atom atom

altPos

public java.lang.String altPos

points

public java.util.Vector points

ppms

public java.util.Vector ppms

refPPMV

public PPMv refPPMV

properties

public boolean[] properties

occupancy

public float occupancy

bfactor

public float bfactor

selected

public int selected

labelStatus

public int labelStatus

displayStatus

public int displayStatus

red

public float red

green

public float green

blue

public float blue

coords

public java.util.Vector coords

Constructor Detail

SpatialSet

public SpatialSet(java.lang.String name,
                  Atom atom)

SpatialSet

public SpatialSet(float x,
                  float y,
                  float z)

SpatialSet

public SpatialSet(double ppmValue)

Method Detail

getName

public java.lang.String getName()

getFullName

public java.lang.String getFullName()

setSelected

public void setSelected(int value)

getSelected

public int getSelected()

setLabelStatus

public void setLabelStatus(int value)

setDisplayStatus

public void setDisplayStatus(int value)

setOccupancy

public void setOccupancy(float value)

getOccupancy

public float getOccupancy()

setBFactor

public void setBFactor(float value)

getBFactor

public float getBFactor()

getPointCount

public int getPointCount()

isStereo

public boolean isStereo()

getPoint

public Point3 getPoint()

getPoint

public Point3 getPoint(int i)

getPointValidity

public boolean getPointValidity(int i)

setPointValidity

public void setPointValidity(int i,
                             boolean validity)

getRefPPM

public PPMv getRefPPM()

setRefPPMValidity

public void setRefPPMValidity(boolean validity)

getPPM

public PPMv getPPM(int i)

setPPMValidity

public void setPPMValidity(int i,
                           boolean validity)

setProperty

public void setProperty(int propIndex)

unsetProperty

public void unsetProperty(int propIndex)

getProperty

public boolean getProperty(int propIndex)

pointCount

public int pointCount()

setColor

public void setColor(float red,
                     float green,
                     float blue)

addToSTARString

public void addToSTARString(java.lang.StringBuilder result)

addToSTARString

public void addToSTARString(java.lang.StringBuilder result,
                            boolean includeSEQID)

addXYZtoSTAR

public boolean addXYZtoSTAR(java.lang.StringBuilder result,
                            int iStruct)
                     throws tcl.lang.TclException

Throws:

tcl.lang.TclException