public class CrystalBuilder
extends java.lang.Object
Modifier and Type | Field | Description |
---|---|---|
static int |
DEF_NUM_CELLS |
|
static double |
DEFAULT_INTERFACE_DISTANCE_CUTOFF |
Default maximum distance between two chains to be considered an interface.
|
static javax.vecmath.Matrix4d |
IDENTITY |
Constructor | Description |
---|---|
CrystalBuilder(Structure structure) |
Modifier and Type | Method | Description |
---|---|---|
StructureInterfaceList |
getUniqueInterfaces() |
Returns the list of unique interfaces that the given Structure has upon
generation of all crystal symmetry mates.
|
StructureInterfaceList |
getUniqueInterfaces(double cutoff) |
Returns the list of unique interfaces that the given Structure has upon
generation of all crystal symmetry mates.
|
void |
setNumCells(int numCells) |
Set the number of neighboring crystal cells that will be used in the search for contacts
|
void |
translate(javax.vecmath.Matrix4d m,
javax.vecmath.Vector3d translation) |
public static final int DEF_NUM_CELLS
public static final double DEFAULT_INTERFACE_DISTANCE_CUTOFF
getUniqueInterfaces(double)
,
Constant Field Valuespublic static final javax.vecmath.Matrix4d IDENTITY
public CrystalBuilder(Structure structure)
public void setNumCells(int numCells)
numCells
- public StructureInterfaceList getUniqueInterfaces()
DEFAULT_INTERFACE_DISTANCE_CUTOFF
public StructureInterfaceList getUniqueInterfaces(double cutoff)
cutoff
- the distance cutoff for 2 chains to be considered in contactpublic void translate(javax.vecmath.Matrix4d m, javax.vecmath.Vector3d translation)