Class QCJSONWriter

java.lang.Object
org.jmol.util.JSONWriter
org.jmol.adapter.writers.QCJSONWriter
All Implemented Interfaces:
JmolWriter
public class QCJSONWriter extends JSONWriter implements JmolWriter
A very experimental class for writing QCJSON files. This standard is in the process of being developed, so any of this could change at any time. All we have here is Bob Hanson's experiment with getting Jmol to save and restore structures, vibrations, and molecular orbitals. Data set Bob is using is at https://sourceforge.net/p/jmol/code/HEAD/tree/trunk/Jmol-datafiles/qcjson

  • Constructor Details

    • QCJSONWriter

      public QCJSONWriter()

  • Method Details

    • set

      public void set(Viewer viewer, OC oc, Object[] data)
      Specified by:
      set in interface JmolWriter

    • write

      public String write(BS bs)
      Specified by:
      write in interface JmolWriter

    • toString

      public String toString()
      Overrides:
      toString in class Object

    • writeJSON

      public void writeJSON()

    • writeSchemaMetadata

      public void writeSchemaMetadata()

    • openSchema

      public void openSchema()

    • writeMagic

      public void writeMagic()

    • closeSchema

      public void closeSchema()

    • writeJobs

      public void writeJobs()

    • writeJob

      public void writeJob(int iJob)

    • writeJobMetadata

      public void writeJobMetadata()

    • writeModels

      public void writeModels()

    • writeModel

      public int writeModel(int modelIndex)

    • writeTopology

      public void writeTopology(int modelIndex)

    • getProperty

      public Object getProperty(int modelIndex, String key)

    • writeModelMetadata

      public void writeModelMetadata(int modelIndex)

    • writeAtoms

      public void writeAtoms(int modelIndex)

    • writeBonds

      public void writeBonds(int modelIndex)

    • writeVibrations

      public int writeVibrations(int modelIndex)

    • getAndCheckValue

      protected Object getAndCheckValue(Map<String,Object> map, String key)
      Overrides:
      getAndCheckValue in class JSONWriter

    • writeMOBases

      public void writeMOBases()

    • writeObject

      public void writeObject(Object o)
      Overrides:
      writeObject in class JSONWriter