JmolJDXMOLParser (Jmol 16.3.55 API)

All Known Implementing Classes:: JDXMOLParser

public interface JmolJDXMOLParser

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()

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)

Method Details
- getFirstModelWithPeaks
  
  String getFirstModelWithPeaks()
- 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
  
  boolean readACDAssignments(int nPoints, boolean isPeakAssignment, Lst<String[]> list) throws Exception
  
  Throws:
  
  Exception
- setACDAssignments
  
  int setACDAssignments(String model, String mytype, int peakCount, Lst<String[]> acdlist, String molFile) throws Exception
  
  Throws:
  
  Exception