Class FSG2SCIFConverter
java.lang.Object
org.jmol.adapter.writers.XtlWriter
org.jmol.adapter.writers.CIFWriter
org.jmol.adapter.writers.FSG2SCIFConverter
- All Implemented Interfaces:
JmolWriter
This class, a subclass of CIFWriter, should only be
initialized dynamically and by CIFWriter.
It is intended ONLY as a way of converting
FindSpinGroup JSON output files loaded using
the FSGOutputReader using the WRITE command.
FSGOutputReader creates a Map object scfInfo
in the _M model auxiliaryInfo array. When writing
CIF files, this array provides the needed information
to write the moment data for writing of SCIF files.
As of 2025.06.07 it has been only very minimally tested.
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Field Summary
Fields inherited from class CIFWriter
atomLabels, atoms, bsOut, data, haveCustom, isCIF2, isP1, jmol_atoms, modelIndex, modelInfo, nops, oc, uc, vwrFields inherited from class XtlWriter
haveUnitCell, isHighPrecision, precision, slop -
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionprotected voidprepareAtomSet(BS bs) protected intwriteAtomSite(SB sb) protected voidwriteHeader(SB sb) protected voidwriteOperations(SB sb) Methods inherited from class CIFWriter
append3, appendField, appendKey, set, toString, write, writeChecked, writeMultiline, writeParams
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Constructor Details
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FSG2SCIFConverter
public FSG2SCIFConverter()
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Method Details
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prepareAtomSet
- Overrides:
prepareAtomSetin classCIFWriter
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writeHeader
- Overrides:
writeHeaderin classCIFWriter
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writeOperations
- Overrides:
writeOperationsin classCIFWriter
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writeAtomSite
- Overrides:
writeAtomSitein classCIFWriter
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