Package org.jmol.api
Interface JmolJDXMOLParser
- All Known Implementing Classes:
JDXMOLParser
public interface JmolJDXMOLParser
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Method Summary
Modifier and TypeMethodDescriptiongetAttribute
(String line, String tag) readACDAssignments
(int nPoints, boolean isPeakAssignment) boolean
int
readPeaks
(boolean isSignals, int peakCount) int
setACDAssignments
(String model, String mytype, int peakCount, Lst<String[]> acdlist, String molFile) void
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Method Details
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set
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getRecord
- Throws:
Exception
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getAttribute
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readModels
- Throws:
Exception
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readPeaks
- Throws:
Exception
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setLine
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readACDMolFile
- Throws:
Exception
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readACDAssignments
- Throws:
Exception
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setACDAssignments
int setACDAssignments(String model, String mytype, int peakCount, Lst<String[]> acdlist, String molFile) throws Exception - Throws:
Exception
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