org.jmol.jvxl.readers
Class IsoSolventReader
class
IsoSolventReader
extends AtomDataReader
Method Summary |
float | checkSpecialVoxel(Point3f ptA, float rAS, Point3f ptB, float rBS, float dAB, Point3f ptV) |
protected void | generateCube() |
void | generateSolventCavity() |
void | generateSolventCube(boolean isFirstPass) |
void | selectPocket(boolean doExclude) |
void | setGridLimitsForAtom(Point3f ptA, float rA, Point3i pt0, Point3i pt1) |
protected void | setup() |
float | solventDistance(Point3f ptV, Point3f ptA, Point3f ptB, float rAS, float rBS, float dAB, float dAV, float dBV) |
boolean | voxelIsInTrough(float dVS, float rAS2, float rBS, float dAB, float dAV, float dBV) |
private float cavityRadius
private boolean doCalculateTroughs
private boolean doSmoothProperty
private float envelopeRadius
private boolean isCavity
private boolean isPocket
private boolean isProperty
final Point3f ptS
final Point3f ptXyzTemp
private float solventRadius
float checkSpecialVoxel(Point3f ptA, float rAS, Point3f ptB, float rBS, float dAB, Point3f ptV)
protected void generateCube()
private void generateSolventCavity()
void generateSolventCube(boolean isFirstPass)
public void selectPocket(boolean doExclude)
void setGridLimitsForAtom(Point3f ptA, float rA, Point3i pt0, Point3i pt1)
protected void setup()
float solventDistance(Point3f ptV, Point3f ptA, Point3f ptB, float rAS, float rBS, float dAB, float dAV, float dBV)
boolean voxelIsInTrough(float dVS, float rAS2, float rBS, float dAB, float dAV, float dBV)