public abstract class BestMatch
extends java.lang.Object
Constructor and Description |
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BestMatch() |
Modifier and Type | Method and Description |
---|---|
abstract void |
Clear() |
abstract boolean |
containsKey(int indexI,
int indexJ)
String IKey = substrateIndex + "_" + productIndex;
|
abstract void |
Erase(int indexI,
int indexJ)
String IKey = substrateIndex + "_" + productIndex;
|
abstract AtomAtomMapping |
getAtomMatch(int indexI,
int indexJ)
String IKey = substrateIndex + "_" + productIndex;
|
abstract double |
getBondEnergy(int indexI,
int indexJ)
String IKey = substrateIndex + "_" + productIndex;
|
abstract double |
getGraphSimilarity(int indexI,
int indexJ)
String IKey = substrateIndex + "_" + productIndex;
|
abstract double |
getStereoScore(int indexI,
int indexJ)
String IKey = substrateIndex + "_" + productIndex;
|
abstract int |
getTotalFragmentCount(int indexI,
int indexJ)
String IKey = substrateIndex + "_" + productIndex;
|
abstract void |
putBestMapping(int indexI,
int indexJ,
AtomAtomMapping matchingAtoms)
String IKey = substrateIndex + "_" + productIndex;
|
abstract void |
setBondEnergy(int indexI,
int indexJ,
double value)
String IKey = substrateIndex + "_" + productIndex;
|
abstract void |
setGraphSimilarity(int indexI,
int indexJ,
double _simVal)
String IKey = substrateIndex + "_" + productIndex;
|
abstract void |
setStereoScore(int indexI,
int indexJ,
double stereoVal)
String IKey = substrateIndex + "_" + productIndex;
|
abstract void |
setTotalFragmentCount(int indexI,
int indexJ,
java.lang.Integer value)
String IKey = substrateIndex + "_" + productIndex;
|
public abstract void Clear() throws java.io.IOException
java.io.IOException
public abstract void Erase(int indexI, int indexJ) throws java.io.IOException
indexI
- indexJ
- java.io.IOException
public abstract boolean containsKey(int indexI, int indexJ) throws java.io.IOException
indexI
- indexJ
- java.io.IOException
public abstract AtomAtomMapping getAtomMatch(int indexI, int indexJ) throws java.io.IOException
indexI
- indexJ
- java.io.IOException
public abstract double getBondEnergy(int indexI, int indexJ)
indexI
- indexJ
- public abstract double getGraphSimilarity(int indexI, int indexJ)
indexI
- indexJ
- public abstract double getStereoScore(int indexI, int indexJ)
indexI
- indexJ
- public abstract int getTotalFragmentCount(int indexI, int indexJ)
indexI
- indexJ
- public abstract void putBestMapping(int indexI, int indexJ, AtomAtomMapping matchingAtoms) throws java.io.IOException
indexI
- indexJ
- matchingAtoms
- java.io.IOException
public abstract void setBondEnergy(int indexI, int indexJ, double value)
indexI
- indexJ
- value
- public abstract void setGraphSimilarity(int indexI, int indexJ, double _simVal)
indexI
- indexJ
- _simVal
- public abstract void setStereoScore(int indexI, int indexJ, double stereoVal)
indexI
- indexJ
- stereoVal
- public abstract void setTotalFragmentCount(int indexI, int indexJ, java.lang.Integer value)
indexI
- indexJ
- value
-