Package com.actelion.research.chem.properties.fractaldimension

Class ResultFracDimCalc

java.lang.Object

com.actelion.research.util.datamodel.IdentifiedObject<StereoMolecule>

com.actelion.research.chem.properties.fractaldimension.InputObjectFracDimCalc

com.actelion.research.chem.properties.fractaldimension.ResultFracDimCalc

All Implemented Interfaces:

IIdentifiedObject<StereoMolecule>, java.lang.Comparable<IdentifiedObject<StereoMolecule>>

public class ResultFracDimCalc
extends InputObjectFracDimCalc

ResultFracDimCalc

Modest v. Korff

Created by korffmo1 on 28.08.18.

Field Summary

Fields

Modifier and Type	Field	Description
static java.lang.String[]	ARR_TAGS
static java.lang.String	SEP
static java.lang.String	TAG_BONDS_AT_MAX_FRAGS_CALC
static java.lang.String	TAG_FRACTAL_DIM
static java.lang.String	TAG_ID
static java.lang.String	TAG_MAX_NUM_UNIQUE_FRAGMENTS_CALC
static java.lang.String	TAG_MESSAGE
static java.lang.String	TAG_SMILES
static java.lang.String	TAG_SUM_UNIQUE_FRAGMENTS_CALC

Constructor Summary

Constructors

Constructor	Description
ResultFracDimCalc(InputObjectFracDimCalc inputObjectFracDimCalc)

Method Summary

Modifier and Type	Method	Description
int	getBondsAtMaxFrag()
double	getFractalDimension()
int	getMaxNumUniqueFrags()
java.lang.String	getMessage()
int	getSumUniqueFrags()
java.lang.String	toString()
static java.lang.String	toStringHeader()

Methods inherited from class com.actelion.research.chem.properties.fractaldimension.InputObjectFracDimCalc

getSmiles

Methods inherited from class com.actelion.research.util.datamodel.IdentifiedObject

compareTo, getComparatorId, getData, getHashMap, getId, setData, setId, shuffleArray

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Field Detail

TAG_SMILES

public static final java.lang.String TAG_SMILES

See Also:

Constant Field Values

TAG_ID

public static final java.lang.String TAG_ID

See Also:

Constant Field Values

TAG_SUM_UNIQUE_FRAGMENTS_CALC

public static final java.lang.String TAG_SUM_UNIQUE_FRAGMENTS_CALC

See Also:

Constant Field Values

TAG_BONDS_AT_MAX_FRAGS_CALC

public static final java.lang.String TAG_BONDS_AT_MAX_FRAGS_CALC

See Also:

Constant Field Values

TAG_MAX_NUM_UNIQUE_FRAGMENTS_CALC

public static final java.lang.String TAG_MAX_NUM_UNIQUE_FRAGMENTS_CALC

See Also:

Constant Field Values

TAG_FRACTAL_DIM

public static final java.lang.String TAG_FRACTAL_DIM

See Also:

Constant Field Values

TAG_MESSAGE

public static final java.lang.String TAG_MESSAGE

See Also:

Constant Field Values

ARR_TAGS

public static final java.lang.String[] ARR_TAGS

SEP

public static final java.lang.String SEP

See Also:

Constant Field Values

Constructor Detail

ResultFracDimCalc

public ResultFracDimCalc(InputObjectFracDimCalc inputObjectFracDimCalc)

Method Detail

getFractalDimension

public double getFractalDimension()

getBondsAtMaxFrag

public int getBondsAtMaxFrag()

getMaxNumUniqueFrags

public int getMaxNumUniqueFrags()

getSumUniqueFrags

public int getSumUniqueFrags()

getMessage

public java.lang.String getMessage()

toString

public java.lang.String toString()

Overrides:

toString in class IdentifiedObject<StereoMolecule>

toStringHeader

public static java.lang.String toStringHeader()