Package org.jmol.symmetry
Class WyckoffFinder
java.lang.Object
org.jmol.symmetry.WyckoffFinder
A class to calculate, store, and retrieve Wyckoff information as per
BCS nph-trgen at
https://www.cryst.ehu.es/cgi-bin/cryst/programs//nph-trgen?gnum=146&what=wpos&trmat=2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c&unconv=R%203%20:R&from=ita
For the 611 standard setting in ITA GENPOS, we are just reading the json file and
loading its information.
For setting not found through GENPOS, we calculate the Wyckoff positions.
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Field Summary
Fields -
Constructor Summary
Constructors -
Method Summary
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Field Details
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WYCKOFF_RET_LABEL
public static final int WYCKOFF_RET_LABELpositive numbers will be label characters or '*'- See Also:
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WYCKOFF_RET_COORD
public static final int WYCKOFF_RET_COORD- See Also:
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WYCKOFF_RET_COORDS
public static final int WYCKOFF_RET_COORDS- See Also:
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WYCKOFF_RET_COORDS_ALL
public static final int WYCKOFF_RET_COORDS_ALL- See Also:
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WYCKOFF_RET_GENERAL
public static final int WYCKOFF_RET_GENERAL- See Also:
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WYCKOFF_RET_CENTERING
public static final int WYCKOFF_RET_CENTERING- See Also:
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WYCKOFF_RET_CENTERING_STRING
public static final int WYCKOFF_RET_CENTERING_STRING- See Also:
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WYCKOFF_RET_WITH_MULT
public static final int WYCKOFF_RET_WITH_MULT- See Also:
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centerings
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centeringStr
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Constructor Details
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WyckoffFinder
public WyckoffFinder()
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Method Details
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wrap
Just wrap the coordinate with parentheses.- Parameters:
xyz
-sb
-- Returns:
- sb for continued appending
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