Package com.actelion.research.chem.mmp
Class MMP
- java.lang.Object
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- com.actelion.research.chem.mmp.MMP
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public class MMP extends java.lang.Object
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Nested Class Summary
Nested Classes Modifier and Type Class Description static class
MMP.MoleculeIndex
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Constructor Summary
Constructors Constructor Description MMP(java.lang.String datasetName, CompoundFileParser compoundFileParser, boolean verbose)
Generates a hash table of keys - list of values;
for double cuts, one key consists of a '\t'-separated string
of the two 'left' and 'right' fragmentsID.
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description void
writeMMPFile(java.io.PrintWriter printWriter)
Writes the header (general information) block and calls the writing of the different blocks
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Constructor Detail
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MMP
public MMP(java.lang.String datasetName, CompoundFileParser compoundFileParser, boolean verbose) throws java.io.IOException
Generates a hash table of keys - list of values;
for double cuts, one key consists of a '\t'-separated string
of the two 'left' and 'right' fragmentsID.- Parameters:
datasetName
- Name of the data setcompoundFileParser
- Compound File Parser (SD Reader, database link, ...)verbose
- Verbose- Throws:
java.io.IOException
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