Package org.jmol.adapter.readers.cif
Class MSCifParser
java.lang.Object
org.jmol.adapter.readers.cif.MSRdr
org.jmol.adapter.readers.cif.MSCifParser
- All Implemented Interfaces:
MSInterface
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Field Summary
Fields inherited from class org.jmol.adapter.readers.cif.MSRdr
commensurateSection1, cr, isCommensurate, modAverage, modAxes, modDim
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Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionvoid
int
creates entries in htModulation with a key of the form: type_id_axis;atomLabel@model where type = W|F|D|O (wave vector, Fourier index, displacement, occupancy); id = 1|2|3|0|S (Fourier index, Crenel(0), sawtooth); axis (optional) = 0|x|y|z (0 indicates irrelevant -- occupancy); and ;atomLabel is only for D and O.Methods inherited from class org.jmol.adapter.readers.cif.MSRdr
addLatticeVector, addModulation, addSubsystem, finalizeModulation, getAtomSymmetry, getMod, getModType, getModulationMap, getQCoefs, getSymmetryFromCode, initialize, setMinMax0, setModDim, setModulation
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Constructor Details
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MSCifParser
public MSCifParser()
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Method Details
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processEntry
- Throws:
Exception
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processLoopBlock
creates entries in htModulation with a key of the form: type_id_axis;atomLabel@model where type = W|F|D|O (wave vector, Fourier index, displacement, occupancy); id = 1|2|3|0|S (Fourier index, Crenel(0), sawtooth); axis (optional) = 0|x|y|z (0 indicates irrelevant -- occupancy); and ;atomLabel is only for D and O.- Returns:
- 1:handled; -1: skip; 0: unrelated
- Throws:
Exception
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