java.lang.Object

org.jmol.adapter.readers.spartan.SpartanArchive

class SpartanArchive extends Object

Field Summary

Fields

Modifier and Type

Field

Description

private int

ac

private String

bondData

private int

coefCount

private String

endCheck

private int

gaussianCount

private boolean

isSMOL

private String

line

private int

moCount

private int

modelAtomCount

private int

modelCount

private BasisFunctionReader

r

private int

shellCount
Constructor Summary

Constructors

Constructor

Description

SpartanArchive(BasisFunctionReader r, String bondData, String endCheck, int smolAtomCount)
Method Summary

Modifier and Type

Method

Description

(package private) void

addBonds(String data, int ac0)

private String

getQuotedString(String strQuote)

private void

initialize(BasisFunctionReader r, String bondData)

private float

parseFloat(String info)

private int

parseInt(String info)

(package private) int

readArchive(String infoLine, boolean haveGeometryLine, int ac0, boolean doAddAtoms)

private void

readAtoms(int ac0, boolean doAddAtoms)

(package private) void

readBasis()

(package private) void

readDipole()

private void

readEnergy()

private String

readLine()

(package private) void

readMolecularOrbital()

(package private) void

readProperties()

private void

readProperty()

(package private) void

readVibFreqs()

private void

setDipole(String[] tokens)

private int

setInfo(String info)

private void

setVibrationsFromProperties()

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Details
- modelCount
  
  private int modelCount
- modelAtomCount
  
  private int modelAtomCount
- ac
  
  private int ac
- bondData
  
  private String bondData
- moCount
  
  private int moCount
- coefCount
  
  private int coefCount
- shellCount
  
  private int shellCount
- gaussianCount
  
  private int gaussianCount
- endCheck
  
  private String endCheck
- isSMOL
  
  private boolean isSMOL
- r
  
  private BasisFunctionReader r
- line
  
  private String line
Constructor Details
- SpartanArchive
  
  SpartanArchive(BasisFunctionReader r, String bondData, String endCheck, int smolAtomCount)
Method Details
- initialize
  
  private void initialize(BasisFunctionReader r, String bondData)
- readArchive
  
  int readArchive(String infoLine, boolean haveGeometryLine, int ac0, boolean doAddAtoms) throws Exception
  
  Throws:
  
  Exception
- readEnergy
  
  private void readEnergy() throws Exception
  
  Throws:
  
  Exception
- setInfo
  
  private int setInfo(String info) throws Exception
  
  Throws:
  
  Exception
- readAtoms
  
  private void readAtoms(int ac0, boolean doAddAtoms) throws Exception
  
  Throws:
  
  Exception
- addBonds
  
  void addBonds(String data, int ac0)
- readBasis
  
  void readBasis() throws Exception
  
  Throws:
  
  Exception
- readMolecularOrbital
  
  void readMolecularOrbital() throws Exception
  
  Throws:
  
  Exception
- readProperties
  
  void readProperties() throws Exception
  
  Throws:
  
  Exception
- readDipole
  
  void readDipole() throws Exception
  
  Throws:
  
  Exception
- setDipole
  
  private void setDipole(String[] tokens)
- readProperty
  
  private void readProperty() throws Exception
  
  Throws:
  
  Exception
- readVibFreqs
  
  void readVibFreqs() throws Exception
  
  Throws:
  
  Exception
- setVibrationsFromProperties
  
  private void setVibrationsFromProperties() throws Exception
  
  Throws:
  
  Exception
- getQuotedString
  
  private String getQuotedString(String strQuote)
- parseInt
  
  private int parseInt(String info)
- parseFloat
  
  private float parseFloat(String info)
- readLine
  
  private String readLine() throws Exception
  
  Throws:
  
  Exception

Class SpartanArchive

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Details

modelCount

modelAtomCount

ac

bondData

moCount

coefCount

shellCount

gaussianCount

endCheck

isSMOL

r

line

Constructor Details

SpartanArchive

Method Details

initialize

readArchive

readEnergy

setInfo

readAtoms

addBonds

readBasis

readMolecularOrbital

readProperties

readDipole

setDipole

readProperty

readVibFreqs

setVibrationsFromProperties

getQuotedString

parseInt

parseFloat

readLine