java.lang.Object

org.jmol.jsv.JDXMOLParser

All Implemented Interfaces:: JmolJDXMOLParser

public class JDXMOLParser extends Object implements JmolJDXMOLParser

Parses JDX-MOL records ##$MODELS and ##$PEAKS/##$SIGNALS. Used in both Jmol and JSpecView. Also gets info from ACD Labs files JCAMP-DX=5.00 $$ ACD/SpecManager v 12.01

Field Summary

Fields

Modifier and Type

Field

Description

static final boolean

allowSameName
Constructor Summary

Constructors

Constructor

Description

JDXMOLParser()
Method Summary

Modifier and Type

Method

Description

String

getAttribute(String line, String tag)

String

getFirstModelWithPeaks()

String

getRecord(String key)

boolean

readACDAssignments(int nPoints, boolean isPeakAssignment, Lst<String[]> list)

String

readACDMolFile()

MOL file embedded in JDX file

boolean

readModels()

int

readPeaks(boolean isSignals, int peakCount)

JmolJDXMOLParser

set(JmolJDXMOLReader loader, String filePath, Map<String,Object> htParams)

int

setACDAssignments(String model, String mytype, int peakCount, Lst<String[]> acdlist, String molFile)

void

setLine(String s)

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

Field Details
- allowSameName
  
  public static final boolean allowSameName
  See Also:
  
  Constant Field Values
Constructor Details
- JDXMOLParser
  
  public JDXMOLParser()
Method Details
- set
  
  public JmolJDXMOLParser set(JmolJDXMOLReader loader, String filePath, Map<String,Object> htParams)
  
  Specified by:
  
  set in interface JmolJDXMOLParser
- getAttribute
  
  public String getAttribute(String line, String tag)
  
  Specified by:
  
  getAttribute in interface JmolJDXMOLParser
- getRecord
  
  public String getRecord(String key) throws Exception
  
  Specified by:
  
  getRecord in interface JmolJDXMOLParser
  
  Throws:
  
  Exception
- readModels
  
  public boolean readModels() throws Exception
  
  Specified by:
  
  readModels in interface JmolJDXMOLParser
  
  Throws:
  
  Exception
- readACDMolFile
  
  public String readACDMolFile() throws Exception
  
  MOL file embedded in JDX file
  
  Specified by:
  
  readACDMolFile in interface JmolJDXMOLParser
  
  Throws:
  
  Exception
- readACDAssignments
  
  public boolean readACDAssignments(int nPoints, boolean isPeakAssignment, Lst<String[]> list) throws Exception
  
  Specified by:
  
  readACDAssignments in interface JmolJDXMOLParser
  
  Throws:
  
  Exception
- setACDAssignments
  
  public int setACDAssignments(String model, String mytype, int peakCount, Lst<String[]> acdlist, String molFile) throws Exception
  
  Specified by:
  
  setACDAssignments in interface JmolJDXMOLParser
  
  Throws:
  
  Exception
- readPeaks
  
  public int readPeaks(boolean isSignals, int peakCount) throws Exception
  
  Specified by:
  
  readPeaks in interface JmolJDXMOLParser
  
  Throws:
  
  Exception
- setLine
  
  public void setLine(String s)
  
  Specified by:
  
  setLine in interface JmolJDXMOLParser
- getFirstModelWithPeaks
  
  public String getFirstModelWithPeaks()
  
  Specified by:
  
  getFirstModelWithPeaks in interface JmolJDXMOLParser

Class JDXMOLParser

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Details

allowSameName

Constructor Details

JDXMOLParser

Method Details

set

getAttribute

getRecord

readModels

readACDMolFile

readACDAssignments

setACDAssignments

readPeaks

setLine

getFirstModelWithPeaks