MSInterface (Jmol 16.3.55 API)

All Known Implementing Classes:: MSCifParser, MSRdr

public interface MSInterface

Modulated Structure Reader Interface

Method Summary

Modifier and Type

Method

Description

boolean

addLatticeVector(Lst<float[]> lattvecs, String substring)

void

addModulation(Map<String,double[]> map, String id, double[] pt, int iModel)

void

addSubsystem(String code, Matrix w)

void

finalizeModulation()

XtalSymmetry.FileSymmetry

getAtomSymmetry(Atom a, XtalSymmetry.FileSymmetry symmetry)

double[]

getMod(String key)

char

getModType(String key)

Map<String,double[]>

getModulationMap()

double[]

getQCoefs(String key)

XtalSymmetry.FileSymmetry

getSymmetryFromCode(String spaceGroupOperationCode)

int

initialize(AtomSetCollectionReader r, int modDim)

void

setMinMax0(P3 minXYZ0, P3 maxXYZ0)

void

setModulation(boolean isPost, XtalSymmetry.FileSymmetry symmetry)

Method Details
- addModulation
  
  void addModulation(Map<String,double[]> map, String id, double[] pt, int iModel)
- addSubsystem
  
  void addSubsystem(String code, Matrix w)
- finalizeModulation
  
  void finalizeModulation()
- getMod
  
  double[] getMod(String key)
- initialize
  
  int initialize(AtomSetCollectionReader r, int modDim) throws Exception
  
  Throws:
  
  Exception
- setModulation
  
  void setModulation(boolean isPost, XtalSymmetry.FileSymmetry symmetry) throws Exception
  
  Throws:
  
  Exception
- getAtomSymmetry
  
  XtalSymmetry.FileSymmetry getAtomSymmetry(Atom a, XtalSymmetry.FileSymmetry symmetry)
- setMinMax0
  
  void setMinMax0(P3 minXYZ0, P3 maxXYZ0)
- getSymmetryFromCode
  
  XtalSymmetry.FileSymmetry getSymmetryFromCode(String spaceGroupOperationCode)
- addLatticeVector
  
  boolean addLatticeVector(Lst<float[]> lattvecs, String substring) throws Exception
  
  Throws:
  
  Exception
- getModulationMap
  
  Map<String,double[]> getModulationMap()
- getModType
  
  char getModType(String key)
- getQCoefs
  
  double[] getQCoefs(String key)