Package org.openscience.cdk.smiles
Class InvPair
java.lang.Object
org.openscience.cdk.smiles.InvPair
- All Implemented Interfaces:
Serializable
This is used to hold the invariance numbers for the canonical labeling of
IAtomContainer
s.- See Also:
- Source code:
- main
- Belongs to CDK module:
- standard
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Field Summary
Fields -
Constructor Summary
Constructors -
Method Summary
Modifier and TypeMethodDescriptionvoid
commit()
boolean
Check whether this instance equals another instance.getAtom()
long
getCurr()
Get the current seed.long
getLast()
int
getPrime()
Get the current prime number.int
hashCode()
void
void
setCurr
(long newCurr) Set the value of the seed.void
setLast
(long newLast) void
setPrime()
Sets the prime number based on the current seed.toString()
String representation.
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Field Details
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INVARIANCE_PAIR
The description used to set the invariance numbers in the atom's property- See Also:
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CANONICAL_LABEL
- See Also:
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Constructor Details
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InvPair
public InvPair() -
InvPair
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Method Details
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getLast
public long getLast() -
setCurr
public void setCurr(long newCurr) Set the value of the seed. Note that use of this method implies that a new prime number is desired. If so, make sure to callsetPrime()
to ensure that a new prime number is obtained using the new seed. Todo make the following robust!- See Also:
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getCurr
public long getCurr()Get the current seed.- Returns:
- The seed
- See Also:
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equals
Check whether this instance equals another instance. -
hashCode
public int hashCode() -
setLast
public void setLast(long newLast) -
setAtom
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getAtom
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commit
public void commit() -
toString
String representation. -
getPrime
public int getPrime()Get the current prime number.- Returns:
- The current prime number
- See Also:
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setPrime
public void setPrime()Sets the prime number based on the current seed. Note that if you change the seed viasetCurr(long)
, you should make sure to call this method so that a new prime number is available viagetPrime()
- See Also:
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