Class PPNode
- java.lang.Object
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- com.actelion.research.chem.descriptor.flexophore.PPNode
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Field Summary
Fields Modifier and Type Field Description static int
DUMMY_INTERACT_ID
static int
INFO_DEFAULT
static java.lang.String
MULT_FREQ
static int
NUM_BYTES_INTERACTION_TYPE
static java.lang.String
SEPARATOR_ATOMS
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Method Summary
All Methods Static Methods Instance Methods Concrete Methods Modifier and Type Method Description void
add(int interactionType)
Caution! After finishing all adding's realize() has to be called!void
addAtoms(PPNode node)
Only atoms are added that are not yet in the list, check PPAtom.equals for comparison.int
compareTo(PPNode o)
boolean
containsInteractionID(int interactid)
void
copy(PPNode node)
Copy of node into this.boolean
equalAtoms(PPNode node)
realize() may be called first.boolean
equals(java.lang.Object o)
byte[]
get()
int
getAtomicNo(int i)
static int
getAtomicNoFromInteractionType(int interactionType)
PPNode
getCopy()
node deep copy.static PPNode
getDummy()
double
getFractionCarbonInteractions()
static PPNode
getHeteroOnlyNode(PPNode node)
int
getInteractionType(int i)
int
getInteractionTypeCount()
realize() may be called first.protected static int
getInteractionTypeFromByteArray(byte low, byte med, byte high)
byte
getModeFlexophore()
static int
getNumBytesEntry()
boolean
hasHeteroAtom()
boolean
isAromatic(int i)
boolean
isCarbonExclusiveNode()
static PPNode
read(java.lang.String strNode)
void
realize()
May be called after finishing adding new interaction types.void
set(byte[] arrInteractionType, byte size)
Flat copy from node into this.void
setModeFlexophore(byte modeFlexophore)
void
sortInteractionTypes()
java.lang.String
toString()
java.lang.String
toStringLong()
java.lang.String
toStringLongHardPPPoint()
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Field Detail
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NUM_BYTES_INTERACTION_TYPE
public static final int NUM_BYTES_INTERACTION_TYPE
- See Also:
- Constant Field Values
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DUMMY_INTERACT_ID
public static final int DUMMY_INTERACT_ID
- See Also:
- Constant Field Values
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SEPARATOR_ATOMS
public static final java.lang.String SEPARATOR_ATOMS
- See Also:
- Constant Field Values
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MULT_FREQ
public static final java.lang.String MULT_FREQ
- See Also:
- Constant Field Values
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INFO_DEFAULT
public static final int INFO_DEFAULT
- See Also:
- Constant Field Values
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Constructor Detail
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PPNode
public PPNode()
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PPNode
public PPNode(PPNode node)
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Method Detail
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add
public void add(int interactionType)
Caution! After finishing all adding's realize() has to be called!- Parameters:
interactionType
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addAtoms
public void addAtoms(PPNode node)
Only atoms are added that are not yet in the list, check PPAtom.equals for comparison.- Parameters:
node
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compareTo
public int compareTo(PPNode o)
- Specified by:
compareTo
in interfacejava.lang.Comparable<PPNode>
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containsInteractionID
public boolean containsInteractionID(int interactid)
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copy
public void copy(PPNode node)
Copy of node into this.- Parameters:
node
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getCopy
public PPNode getCopy()
node deep copy.
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equals
public boolean equals(java.lang.Object o)
- Overrides:
equals
in classjava.lang.Object
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realize
public void realize()
May be called after finishing adding new interaction types.
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equalAtoms
public boolean equalAtoms(PPNode node)
realize() may be called first.- Parameters:
node
-- Returns:
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get
public byte[] get()
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getInteractionTypeCount
public int getInteractionTypeCount()
realize() may be called first.- Specified by:
getInteractionTypeCount
in interfaceIPPNode
- Returns:
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getInteractionType
public int getInteractionType(int i)
- Specified by:
getInteractionType
in interfaceIPPNode
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getInteractionTypeFromByteArray
protected static int getInteractionTypeFromByteArray(byte low, byte med, byte high)
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getAtomicNo
public int getAtomicNo(int i)
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isAromatic
public boolean isAromatic(int i)
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getAtomicNoFromInteractionType
public static int getAtomicNoFromInteractionType(int interactionType)
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getDummy
public static PPNode getDummy()
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hasHeteroAtom
public boolean hasHeteroAtom()
- Specified by:
hasHeteroAtom
in interfaceIPPNode
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isCarbonExclusiveNode
public boolean isCarbonExclusiveNode()
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set
public void set(byte[] arrInteractionType, byte size)
Flat copy from node into this.- Parameters:
arrInteractionType
-size
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getModeFlexophore
public byte getModeFlexophore()
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setModeFlexophore
public void setModeFlexophore(byte modeFlexophore)
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sortInteractionTypes
public void sortInteractionTypes()
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getFractionCarbonInteractions
public double getFractionCarbonInteractions()
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toString
public java.lang.String toString()
- Overrides:
toString
in classjava.lang.Object
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toStringLong
public java.lang.String toStringLong()
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toStringLongHardPPPoint
public java.lang.String toStringLongHardPPPoint()
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read
public static PPNode read(java.lang.String strNode)
- Parameters:
strNode
- i.e. 262,392,4358*2,8582,590088,598407- Returns:
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getNumBytesEntry
public static int getNumBytesEntry()
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