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