Uses of Class
com.actelion.research.chem.descriptor.flexophore.PPNode
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Uses of PPNode in com.actelion.research.chem.descriptor.flexophore
Subclasses of PPNode in com.actelion.research.chem.descriptor.flexophore Modifier and Type Class Description class
PPNodeViz
Pharmacophore node with information about corresponding atoms in the molecule used for construction.Methods in com.actelion.research.chem.descriptor.flexophore that return PPNode Modifier and Type Method Description PPNode
PPNode. getCopy()
node deep copy.static PPNode
PPNode. getDummy()
static PPNode
PPNode. getHeteroOnlyNode(PPNode node)
PPNode
IMolDistHist. getNode(int i)
PPNode
MolDistHist. getNode(int index)
!Slow method, it has to iterate through a loop to find the node in the array!static PPNode
PPNode. read(java.lang.String strNode)
Methods in com.actelion.research.chem.descriptor.flexophore that return types with arguments of type PPNode Modifier and Type Method Description static java.util.List<PPNode>
MolDistHist. readNodes(java.lang.String strMolDistHist)
reads a MolDistHist from the toString() method.Methods in com.actelion.research.chem.descriptor.flexophore with parameters of type PPNode Modifier and Type Method Description void
PPNode. addAtoms(PPNode node)
Only atoms are added that are not yet in the list, check PPAtom.equals for comparison.void
MolDistHist. addNode(PPNode node)
int
PPNode. compareTo(PPNode o)
void
PPNode. copy(PPNode node)
Copy of node into this.boolean
PPNode. equalAtoms(PPNode node)
realize() may be called first.static PPNode
PPNode. getHeteroOnlyNode(PPNode node)
Constructors in com.actelion.research.chem.descriptor.flexophore with parameters of type PPNode Constructor Description PPNode(PPNode node)
PPNodeViz(PPNode node)
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Uses of PPNode in com.actelion.research.chem.descriptor.flexophore.completegraphmatcher
Methods in com.actelion.research.chem.descriptor.flexophore.completegraphmatcher with parameters of type PPNode Modifier and Type Method Description double
PPNodeSimilarity. getSimilarityExtraCarbonConsideration(PPNode query, PPNode base)
double
PPNodeSimilarity. getSimilarityHardMatchAverage(PPNode query, PPNode base)
double
PPNodeSimilarity. getSimilarityHardMatchMultiplicative(PPNode query, PPNode base)
double
PPNodeSimilarity. getSimilarityHardMatchOptimistic(PPNode query, PPNode base)
java.util.List<java.lang.Double>
PPNodeSimilarity. getSimilarityList(PPNode query, PPNode base)
double
PPNodeSimilarity. getSimilaritySimple(PPNode query, PPNode base)
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Uses of PPNode in com.actelion.research.chem.descriptor.flexophore.entity
Subclasses of PPNode in com.actelion.research.chem.descriptor.flexophore.entity Modifier and Type Class Description class
PPNodeRGroup
PPNodeStructureConstructors in com.actelion.research.chem.descriptor.flexophore.entity with parameters of type PPNode Constructor Description PPNodeRGroup(PPNode node, java.lang.String idcode)
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