public class SymmetryDesc extends Object
Modifier and Type | Field and Description |
---|---|
private static String[] |
keys |
private ModelSet |
modelSet |
Constructor and Description |
---|
SymmetryDesc() |
Modifier and Type | Method and Description |
---|---|
private static javajs.util.T3 |
approx(javajs.util.T3 pt) |
private static javajs.util.T3 |
approx0(javajs.util.T3 pt) |
private Object[] |
createInfoArray(SymmetryOperation op,
SymmetryInterface uc,
javajs.util.P3 pta00,
javajs.util.P3 ptTarget,
String id,
float scaleFactor) |
private static void |
drawFrameLine(String xyz,
javajs.util.P3 pt,
javajs.util.V3 v,
float width,
javajs.util.P3 ptemp,
javajs.util.SB draw1,
String key,
String color) |
private static void |
drawLine(javajs.util.SB s,
String id,
float diameter,
javajs.util.P3 pt0,
javajs.util.P3 pt1,
String color) |
private static void |
drawVector(javajs.util.SB draw1,
String drawid,
String label,
String type,
javajs.util.T3 pt1,
javajs.util.T3 v,
String color) |
private BS |
getAtom(Symmetry uc,
int iModel,
int iAtom,
javajs.util.T3 sympt) |
private static Object |
getInfo(Object[] info,
int type) |
(package private) Map<String,Object> |
getSpaceGroupInfo(Symmetry sym,
int modelIndex,
String sgName,
int symOp,
javajs.util.P3 pt1,
javajs.util.P3 pt2,
String drawID,
float scaleFactor,
int nth) |
private Object |
getSymmetryInfo(Symmetry sym,
int iModel,
int iatom,
Symmetry uc,
String xyz,
int op,
javajs.util.P3 pt,
javajs.util.P3 pt2,
String id,
int type,
float scaleFactor,
int nth)
multipurpose function handling a variety of tasks, including:
processing of "lattice", "list", "atom", "point", and some "draw" output
types
finding the operator in the given space group
creating a temporary space group for an xyz operator
|
(package private) Object |
getSymopInfo(int iAtom,
String xyz,
int op,
javajs.util.P3 pt,
javajs.util.P3 pt2,
String id,
int type,
float scaleFactor,
int nth) |
private Object |
getSymopInfoForPoints(Symmetry sym,
int modelIndex,
int symOp,
javajs.util.P3 pt1,
javajs.util.P3 pt2,
String drawID,
String stype,
float scaleFactor,
int nth,
boolean asString)
get information about a symmetry operation relating two specific points or atoms
|
private static int |
getType(String id) |
private static javajs.util.P3 |
rotTransCart(SymmetryOperation op,
SymmetryInterface uc,
javajs.util.P3 pt00,
javajs.util.V3 vtrans) |
SymmetryDesc |
set(ModelSet modelSet) |
private static void |
setFractional(SymmetryInterface uc,
javajs.util.T3 pt00,
javajs.util.P3 pt01,
javajs.util.P3 offset)
Set pt01 to pt00, possibly adding offset into unit cell
|
private static String |
strCoord(javajs.util.T3 p,
boolean isBio) |
public SymmetryDesc set(ModelSet modelSet)
Object getSymopInfo(int iAtom, String xyz, int op, javajs.util.P3 pt, javajs.util.P3 pt2, String id, int type, float scaleFactor, int nth)
iAtom
- xyz
- op
- pt
- pt2
- id
- type
- scaleFactor
- nth
- Map<String,Object> getSpaceGroupInfo(Symmetry sym, int modelIndex, String sgName, int symOp, javajs.util.P3 pt1, javajs.util.P3 pt2, String drawID, float scaleFactor, int nth)
private static int getType(String id)
private Object[] createInfoArray(SymmetryOperation op, SymmetryInterface uc, javajs.util.P3 pta00, javajs.util.P3 ptTarget, String id, float scaleFactor)
op
- uc
- pta00
- optional initial atom pointptTarget
- optional target atom pointid
- scaleFactor
- scale for rotation vector onlyprivate static void drawLine(javajs.util.SB s, String id, float diameter, javajs.util.P3 pt0, javajs.util.P3 pt1, String color)
private static void drawFrameLine(String xyz, javajs.util.P3 pt, javajs.util.V3 v, float width, javajs.util.P3 ptemp, javajs.util.SB draw1, String key, String color)
private static void drawVector(javajs.util.SB draw1, String drawid, String label, String type, javajs.util.T3 pt1, javajs.util.T3 v, String color)
private static void setFractional(SymmetryInterface uc, javajs.util.T3 pt00, javajs.util.P3 pt01, javajs.util.P3 offset)
uc
- pt00
- pt01
- offset
- private static javajs.util.P3 rotTransCart(SymmetryOperation op, SymmetryInterface uc, javajs.util.P3 pt00, javajs.util.V3 vtrans)
private static String strCoord(javajs.util.T3 p, boolean isBio)
private static javajs.util.T3 approx0(javajs.util.T3 pt)
private static javajs.util.T3 approx(javajs.util.T3 pt)
private Object getSymmetryInfo(Symmetry sym, int iModel, int iatom, Symmetry uc, String xyz, int op, javajs.util.P3 pt, javajs.util.P3 pt2, String id, int type, float scaleFactor, int nth)
sym
- iModel
- iatom
- uc
- xyz
- op
- pt
- pt2
- id
- type
- scaleFactor
- nth
- private Object getSymopInfoForPoints(Symmetry sym, int modelIndex, int symOp, javajs.util.P3 pt1, javajs.util.P3 pt2, String drawID, String stype, float scaleFactor, int nth, boolean asString)
sym
- modelIndex
- symOp
- pt1
- pt2
- drawID
- stype
- scaleFactor
- nth
- asString
-