Package org.jmol.api

Interface JmolJDXMOLParser

All Known Implementing Classes:

JDXMOLParser

public interface JmolJDXMOLParser

Method Summary

Modifier and Type	Method	Description
String	getAttribute(String line, String tag)
String	getRecord(String key)
javajs.util.Lst<String[]>	readACDAssignments(int nPoints, boolean isPeakAssignment)
String	readACDMolFile()
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, javajs.util.Lst<String[]> acdlist, String molFile)
void	setLine(String s)

Method Detail

set

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

getRecord

String getRecord(String key)
          throws Exception

Throws:

Exception

getAttribute

String getAttribute(String line,
                    String tag)

readModels

boolean readModels()
            throws Exception

Throws:

Exception

readPeaks

int readPeaks(boolean isSignals,
              int peakCount)
       throws Exception

Throws:

Exception

setLine

void setLine(String s)

readACDMolFile

String readACDMolFile()
               throws Exception

Throws:

Exception

readACDAssignments

javajs.util.Lst<String[]> readACDAssignments(int nPoints,
                                             boolean isPeakAssignment)
                                      throws Exception

Throws:

Exception

setACDAssignments

int setACDAssignments(String model,
                      String mytype,
                      int peakCount,
                      javajs.util.Lst<String[]> acdlist,
                      String molFile)
               throws Exception

Throws:

Exception