Package org.jmol.symmetry
Class SymmetryOperation
java.lang.Object
javajs.util.M34
javajs.util.M4
org.jmol.symmetry.SymmetryOperation
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Field Summary
Fields -
Method Summary
Modifier and TypeMethodDescriptionstatic String
Get string version of fractionstatic SymmetryOperation[]
getCode()
static char
getGlideFromTrans
(T3 ftrans, T3 ax1) getInfo()
static String
getMatrixFromString
(SymmetryOperation op, String xyz, float[] linearRotTrans, boolean allowScaling, boolean halfOrLess, boolean retString) Convert the Jones-Faithful notation "x, -z+1/2, y" or "x1, x3-1/2, x2, x5+1/2, -x6+1/2, x7..." to a linear array Also allows a-b,-5a-5b,-c;0,0,0 formatstatic M4
getMatrixFromXYZ
(String xyz, float[] v, boolean halfOrLess) int
int
static String
getTransformABC
(Object transform, boolean normalize) static final String
getXYZFromMatrix
(M4 mat, boolean is12ths, boolean allPositive, boolean halfOrLess) static final String
getXYZFromMatrixFrac
(M4 mat, boolean is12ths, boolean allPositive, boolean halfOrLess, boolean allowFractions) static String
getXYZFromRsVs
(Matrix rs, Matrix vs, boolean is12ths) getxyzTrans
(T3 t) static void
normalize12ths
(V3 vtrans) static void
normalizeOperationToCentroid
(int dim, M4 m, P3[] fracPts, int i0, int n) Adjust the translation for this operator so that it moves the center of mass of the full set of atoms into the cell.void
toString()
Returns a string that contains the values of this Matrix4f.Methods inherited from class javajs.util.M4
add, determinant4, equals, getColumn, getElement, getRotationScale, getRow, getTranslation, hashCode, invert, mul, mul2, newA16, newM4, newMV, rotTrans, rotTrans2, round, scale, setA, setAsXYRotation, setAsXZRotation, setAsYZRotation, setColumn4, setColumnA, setElement, setIdentity, setM4, setMV, setRotationScale, setRowA, setToAA, setToM3, setTranslation, setZero, sub, transform, transform2, transpose
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Field Details
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subsystemCode
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opIsLong
public boolean opIsLong
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Method Details
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setSigma
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getxyzTrans
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getMatrixFromXYZ
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getMatrixFromString
public static String getMatrixFromString(SymmetryOperation op, String xyz, float[] linearRotTrans, boolean allowScaling, boolean halfOrLess, boolean retString) Convert the Jones-Faithful notation "x, -z+1/2, y" or "x1, x3-1/2, x2, x5+1/2, -x6+1/2, x7..." to a linear array Also allows a-b,-5a-5b,-c;0,0,0 format- Parameters:
op
-xyz
-linearRotTrans
-allowScaling
-halfOrLess
-retString
-- Returns:
- canonized Jones-Faithful string
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getXYZFromMatrix
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getXYZFromMatrixFrac
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fcoord
Get string version of fraction- Parameters:
p
-sep
- space or comma- Returns:
- "1/2" for example
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getXYZFromRsVs
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toString
Description copied from class:M4
Returns a string that contains the values of this Matrix4f. -
getInfo
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normalizeOperationToCentroid
Adjust the translation for this operator so that it moves the center of mass of the full set of atoms into the cell.- Parameters:
dim
-m
-fracPts
-i0
- first indexn
- number of atoms
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getLatticeCentering
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getOpIsCCW
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getOpType
public int getOpType() -
getOpOrder
public int getOpOrder() -
getOpPoint
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getOpAxis
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getOpPoint2
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getOpTrans
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getAdditionalOperations
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normalize12ths
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getCode
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getGlideFromTrans
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getTransformABC
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