org.jmol.adapter.smarter

Interface MSInterface

All Known Subinterfaces:

MSCifInterface

All Known Implementing Classes:

MSCifReader, MSReader

public interface MSInterface

Modulated Structure Reader Interface

Method Summary

Modifier and Type	Method and Description
boolean	addLatticeVector(javajs.util.List<float[]> lattvecs, java.lang.String substring)
void	addModulation(java.util.Map<java.lang.String,double[]> map, java.lang.String id, double[] pt, int iModel)
void	addSubsystem(java.lang.String code, javajs.util.Matrix w)
void	finalizeModulation()
SymmetryInterface	getAtomSymmetry(Atom a, SymmetryInterface symmetry)
double[]	getMod(java.lang.String key)
SymmetryInterface	getSymmetryFromCode(java.lang.String spaceGroupOperationCode)
int	initialize(AtomSetCollectionReader r, java.lang.String data)
void	setMinMax0(javajs.util.P3 minXYZ0, javajs.util.P3 maxXYZ0)
void	setModulation(boolean isPost)

Method Detail

addModulation

void addModulation(java.util.Map<java.lang.String,double[]> map,
                   java.lang.String id,
                   double[] pt,
                   int iModel)

addSubsystem

void addSubsystem(java.lang.String code,
                  javajs.util.Matrix w)

finalizeModulation

void finalizeModulation()

getMod

double[] getMod(java.lang.String key)

initialize

int initialize(AtomSetCollectionReader r,
               java.lang.String data)
        throws java.lang.Exception

Throws:

java.lang.Exception

setModulation

void setModulation(boolean isPost)

getAtomSymmetry

SymmetryInterface getAtomSymmetry(Atom a,
                                  SymmetryInterface symmetry)

setMinMax0

void setMinMax0(javajs.util.P3 minXYZ0,
                javajs.util.P3 maxXYZ0)

getSymmetryFromCode

SymmetryInterface getSymmetryFromCode(java.lang.String spaceGroupOperationCode)

addLatticeVector

boolean addLatticeVector(javajs.util.List<float[]> lattvecs,
                         java.lang.String substring)
                  throws java.lang.Exception

Throws:

java.lang.Exception