org.jmol.adapter.readers.more
Class SpartanArchive

java.lang.Object
  extended by org.jmol.adapter.readers.more.SpartanArchive

public class SpartanArchive
extends java.lang.Object


Field Summary
(package private)  int atomCount
           
(package private)  AtomSetCollection atomSetCollection
           
(package private)  int bondCount
           
(package private)  java.lang.String bondData
           
(package private)  java.lang.String calculationType
           
(package private)  int coefCount
           
(package private)  java.lang.String endCheck
           
(package private)  int gaussianCount
           
(package private)  java.lang.String line
           
(package private)  int moCount
           
(package private)  java.util.Hashtable moData
           
(package private)  java.util.Vector orbitals
           
(package private)  AtomSetCollectionReader r
           
(package private)  java.io.BufferedReader reader
           
(package private)  int shellCount
           
 
Constructor Summary
SpartanArchive(AtomSetCollectionReader r, AtomSetCollection atomSetCollection, java.util.Hashtable moData)
           
SpartanArchive(AtomSetCollectionReader r, AtomSetCollection atomSetCollection, java.util.Hashtable moData, java.lang.String bondData, java.lang.String endCheck)
           
 
Method Summary
(package private)  void addBonds(java.lang.String data)
           
(package private)  void addBonds(java.lang.String data, int atomCount0)
           
(package private)  java.lang.String getQuotedString(java.lang.String strQuote)
           
(package private)  java.lang.String[] getTokens()
           
(package private) static java.lang.String[] getTokens(java.lang.String info)
           
private  void initialize(AtomSetCollectionReader r, AtomSetCollection atomSetCollection, java.util.Hashtable moData, java.lang.String bondData)
           
(package private)  float parseFloat(java.lang.String info)
           
(package private)  int parseInt(java.lang.String info)
           
(package private)  int readArchive(java.lang.String infoLine, boolean haveGeometryLine)
           
(package private)  void readAtoms()
           
(package private)  void readBasis()
           
(package private)  void readDipole()
           
(package private)  java.lang.String readLine()
           
(package private)  void readMolecularOrbital()
           
(package private)  void readProperties()
           
(package private)  void readProperty()
           
(package private)  void readVibFreqs()
           
(package private)  void setEndCheck(java.lang.String endChec)
           
(package private)  int setInfo(java.lang.String info)
           
 
Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
 

Field Detail

atomCount

int atomCount

bondData

java.lang.String bondData

bondCount

int bondCount

moCount

int moCount

coefCount

int coefCount

shellCount

int shellCount

gaussianCount

int gaussianCount

endCheck

java.lang.String endCheck

calculationType

java.lang.String calculationType

reader

java.io.BufferedReader reader

line

java.lang.String line

atomSetCollection

AtomSetCollection atomSetCollection

r

AtomSetCollectionReader r

moData

java.util.Hashtable moData

orbitals

java.util.Vector orbitals
Constructor Detail

SpartanArchive

SpartanArchive(AtomSetCollectionReader r,
               AtomSetCollection atomSetCollection,
               java.util.Hashtable moData)

SpartanArchive

SpartanArchive(AtomSetCollectionReader r,
               AtomSetCollection atomSetCollection,
               java.util.Hashtable moData,
               java.lang.String bondData,
               java.lang.String endCheck)
Method Detail

getTokens

java.lang.String[] getTokens()

initialize

private void initialize(AtomSetCollectionReader r,
                        AtomSetCollection atomSetCollection,
                        java.util.Hashtable moData,
                        java.lang.String bondData)

setEndCheck

void setEndCheck(java.lang.String endChec)

readArchive

int readArchive(java.lang.String infoLine,
                boolean haveGeometryLine)
          throws java.lang.Exception
Throws:
java.lang.Exception

getTokens

static java.lang.String[] getTokens(java.lang.String info)

parseInt

int parseInt(java.lang.String info)

parseFloat

float parseFloat(java.lang.String info)

setInfo

int setInfo(java.lang.String info)
      throws java.lang.Exception
Throws:
java.lang.Exception

readAtoms

void readAtoms()
         throws java.lang.Exception
Throws:
java.lang.Exception

addBonds

void addBonds(java.lang.String data)

addBonds

void addBonds(java.lang.String data,
              int atomCount0)

readBasis

void readBasis()
         throws java.lang.Exception
Throws:
java.lang.Exception

readMolecularOrbital

void readMolecularOrbital()
                    throws java.lang.Exception
Throws:
java.lang.Exception

readProperties

void readProperties()
              throws java.lang.Exception
Throws:
java.lang.Exception

readDipole

void readDipole()
          throws java.lang.Exception
Throws:
java.lang.Exception

readProperty

void readProperty()
            throws java.lang.Exception
Throws:
java.lang.Exception

readVibFreqs

void readVibFreqs()
            throws java.lang.Exception
Throws:
java.lang.Exception

getQuotedString

java.lang.String getQuotedString(java.lang.String strQuote)

readLine

java.lang.String readLine()
                    throws java.lang.Exception
Throws:
java.lang.Exception