Package org.jmol.util
Class BoxInfo
java.lang.Object
org.jmol.util.BoxInfo
The BoxInfo class holds critical information about boundboxes.
These are simple tetragonal spaces lined up with x,y,z.
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Field Summary
Fields -
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionvoid
addBoundBoxPoint
(T3 pt) static void
static void
addPointXYZ
(float x, float y, float z, P3 xyzMin, P3 xyzMax, float margin) P3[]
getBoundBoxPoints
(boolean isAll) Return basic info on boundbox in the form of an array.Point3fi[]
static P4[]
getBoxFacesFromOABC
(P3[] oabc) static final P3[]
getCanonicalCopy
(P3[] boxPoints, float scale) Change points references to canonical form used in Triangulator, while also scaling.for {*}.boundbox("info"|"volume"|"center"|null)float
static final P3[]
getVerticesFromOABC
(T3[] oabc) boolean
void
reset()
static void
void
setBbcage
(float scale) void
setBoundBox
(T3 pt1, T3 pt2, boolean byCorner, float scale) void
setBoundBoxFromOABC
(T3[] points) void
setMargin
(float m) static final P3[]
Delivers [center a b c] for generation of unit cells from a boundboxtoString()
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Field Details
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X
public static final int X- See Also:
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Y
public static final int Y- See Also:
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Z
public static final int Z- See Also:
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XYZ
public static final int XYZ- See Also:
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bbCorner0
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bbCorner1
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bbcageTickEdges
public static char[] bbcageTickEdges -
uccageTickEdges
public static char[] uccageTickEdges -
edges
public static final byte[] edges -
faceOrder
public static final int[] faceOrder -
facePoints
public static final int[][] facePoints -
unitCubePoints
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Constructor Details
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BoxInfo
public BoxInfo()
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Method Details
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reset
public void reset() -
scaleBox
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getVerticesFromOABC
- Parameters:
oabc
- [center a b c]- Returns:
- all eight vertices
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getCanonicalCopy
Change points references to canonical form used in Triangulator, while also scaling. Box Pt to canonical:0 to 0 1 to 3 2 to 4 3 to 7 4 to 1 5 to 2 6 to 5 7 to 6
- Parameters:
boxPoints
-scale
-- Returns:
- canonical P3 array
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toOABC
Delivers [center a b c] for generation of unit cells from a boundbox- Parameters:
bbVertices
-offset
-- Returns:
- [center a b c]
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getBoundBoxCenter
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getBoundBoxCornerVector
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getBoundBoxPoints
Return basic info on boundbox in the form of an array.- Parameters:
isAll
- to include center and diagonal- Returns:
- isAll: [(0.5 0.5 0.5), diagonal, (0 0 0), (1 1 1)], otherwise just [(0 0 0), (1 1 1)]
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getBoundBoxVertices
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setBoundBoxFromOABC
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setBoundBox
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setMargin
public void setMargin(float m) -
addBoundBoxPoint
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addPoint
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addPointXYZ
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setBbcage
public void setBbcage(float scale) -
isWithin
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getMaxDim
public float getMaxDim() -
getInfo
for {*}.boundbox("info"|"volume"|"center"|null)- Parameters:
what
-- Returns:
- Double or Map or null
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toString
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getBoxFacesFromOABC
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