Package org.jmol.adapter.smarter
Interface MSInterface
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- All Known Implementing Classes:
MSCifParser
,MSRdr
public interface MSInterface
Modulated Structure Reader Interface
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description boolean
addLatticeVector(javajs.util.Lst<float[]> lattvecs, String substring)
void
addModulation(Map<String,double[]> map, String id, double[] pt, int iModel)
void
addSubsystem(String code, javajs.util.Matrix w)
void
finalizeModulation()
SymmetryInterface
getAtomSymmetry(Atom a, SymmetryInterface symmetry)
double[]
getMod(String key)
char
getModType(String key)
Map<String,double[]>
getModulationMap()
double[]
getQCoefs(String key)
SymmetryInterface
getSymmetryFromCode(String spaceGroupOperationCode)
int
initialize(AtomSetCollectionReader r, int modDim)
void
setMinMax0(javajs.util.P3 minXYZ0, javajs.util.P3 maxXYZ0)
void
setModulation(boolean isPost, SymmetryInterface symmetry)
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Method Detail
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addSubsystem
void addSubsystem(String code, javajs.util.Matrix w)
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finalizeModulation
void finalizeModulation()
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getMod
double[] getMod(String key)
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initialize
int initialize(AtomSetCollectionReader r, int modDim) throws Exception
- Throws:
Exception
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setModulation
void setModulation(boolean isPost, SymmetryInterface symmetry) throws Exception
- Throws:
Exception
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getAtomSymmetry
SymmetryInterface getAtomSymmetry(Atom a, SymmetryInterface symmetry)
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setMinMax0
void setMinMax0(javajs.util.P3 minXYZ0, javajs.util.P3 maxXYZ0)
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getSymmetryFromCode
SymmetryInterface getSymmetryFromCode(String spaceGroupOperationCode)
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addLatticeVector
boolean addLatticeVector(javajs.util.Lst<float[]> lattvecs, String substring) throws Exception
- Throws:
Exception
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getModType
char getModType(String key)
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getQCoefs
double[] getQCoefs(String key)
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