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