Package org.jmol.api
Interface JmolJDXMOLReader
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JcampdxReader
public interface JmolJDXMOLReader
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Method Summary
All Methods Instance Methods Abstract Methods Modifier and Type Method Description voidaddPeakData(java.lang.String info)java.lang.StringdiscardLinesUntilContains(java.lang.String string)java.lang.StringdiscardLinesUntilContains2(java.lang.String tag1, java.lang.String tag2)java.lang.StringdiscardLinesUntilNonBlank()voidprocessModelData(java.lang.String data, java.lang.String id, java.lang.String type, java.lang.String base, java.lang.String last, float modelScale, float vibScale, boolean isFirst)java.lang.Stringrd()voidsetSpectrumPeaks(int nH, java.lang.String piUnitsX, java.lang.String piUnitsY)
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Method Detail
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addPeakData
void addPeakData(java.lang.String info)
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discardLinesUntilContains2
java.lang.String discardLinesUntilContains2(java.lang.String tag1, java.lang.String tag2) throws java.lang.Exception- Throws:
java.lang.Exception
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discardLinesUntilContains
java.lang.String discardLinesUntilContains(java.lang.String string) throws java.lang.Exception- Throws:
java.lang.Exception
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discardLinesUntilNonBlank
java.lang.String discardLinesUntilNonBlank() throws java.lang.Exception- Throws:
java.lang.Exception
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processModelData
void processModelData(java.lang.String data, java.lang.String id, java.lang.String type, java.lang.String base, java.lang.String last, float modelScale, float vibScale, boolean isFirst) throws java.lang.Exception- Throws:
java.lang.Exception
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rd
java.lang.String rd() throws java.lang.Exception- Throws:
java.lang.Exception
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setSpectrumPeaks
void setSpectrumPeaks(int nH, java.lang.String piUnitsX, java.lang.String piUnitsY)
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