Package com.actelion.research.chem.mmp
Class MMPEnumerator
- java.lang.Object
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- com.actelion.research.chem.mmp.MMPEnumerator
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public class MMPEnumerator extends java.lang.Object
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Constructor Summary
Constructors Constructor Description MMPEnumerator()
MMPEnumerator(int[] combination, java.util.HashMap<java.lang.String,java.util.ArrayList<int[]>> keysHash1, java.util.HashMap<java.lang.String,java.util.ArrayList<int[]>> keysHash2, java.lang.String version)
Creates a new MMPEnumerator
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description java.util.HashMap<java.lang.String,java.util.List<java.lang.String[]>>
getMMPEnumeration()
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Constructor Detail
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MMPEnumerator
public MMPEnumerator() throws java.io.IOException
- Throws:
java.io.IOException
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MMPEnumerator
public MMPEnumerator(int[] combination, java.util.HashMap<java.lang.String,java.util.ArrayList<int[]>> keysHash1, java.util.HashMap<java.lang.String,java.util.ArrayList<int[]>> keysHash2, java.lang.String version) throws java.io.IOException
Creates a new MMPEnumerator- Parameters:
combination
- [A, B] array of two combination sizes (A=size of seed, B=size of replacement; sizes are number of heavy atoms)keysHash1
- HashMap of the keys of size AkeysHash2
- HashMap of the keys of size Bversion
- Version of the enumerator (1.0 or 1.1)- Throws:
java.io.IOException
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