Package org.jmol.api
Interface JmolJDXMOLParser
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- All Known Implementing Classes:
JDXMOLParser
public interface JmolJDXMOLParser
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Method Summary
All Methods Instance Methods Abstract Methods 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)
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Method Detail
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set
JmolJDXMOLParser set(JmolJDXMOLReader loader, String filePath, Map<String,Object> htParams)
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setLine
void setLine(String s)
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readACDAssignments
javajs.util.Lst<String[]> readACDAssignments(int nPoints, boolean isPeakAssignment) throws Exception
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Exception
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