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 java.lang.String
getAttribute(java.lang.String line, java.lang.String tag)
java.lang.String
getRecord(java.lang.String key)
javajs.util.Lst<java.lang.String[]>
readACDAssignments(int nPoints, boolean isPeakAssignment)
java.lang.String
readACDMolFile()
boolean
readModels()
int
readPeaks(boolean isSignals, int peakCount)
JmolJDXMOLParser
set(JmolJDXMOLReader loader, java.lang.String filePath, java.util.Map<java.lang.String,java.lang.Object> htParams)
int
setACDAssignments(java.lang.String model, java.lang.String mytype, int peakCount, javajs.util.Lst<java.lang.String[]> acdlist, java.lang.String molFile)
void
setLine(java.lang.String s)
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Method Detail
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set
JmolJDXMOLParser set(JmolJDXMOLReader loader, java.lang.String filePath, java.util.Map<java.lang.String,java.lang.Object> htParams)
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getRecord
java.lang.String getRecord(java.lang.String key) throws java.lang.Exception
- Throws:
java.lang.Exception
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getAttribute
java.lang.String getAttribute(java.lang.String line, java.lang.String tag)
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readModels
boolean readModels() throws java.lang.Exception
- Throws:
java.lang.Exception
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readPeaks
int readPeaks(boolean isSignals, int peakCount) throws java.lang.Exception
- Throws:
java.lang.Exception
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setLine
void setLine(java.lang.String s)
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readACDMolFile
java.lang.String readACDMolFile() throws java.lang.Exception
- Throws:
java.lang.Exception
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readACDAssignments
javajs.util.Lst<java.lang.String[]> readACDAssignments(int nPoints, boolean isPeakAssignment) throws java.lang.Exception
- Throws:
java.lang.Exception
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setACDAssignments
int setACDAssignments(java.lang.String model, java.lang.String mytype, int peakCount, javajs.util.Lst<java.lang.String[]> acdlist, java.lang.String molFile) throws java.lang.Exception
- Throws:
java.lang.Exception
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