Constant Field Values
Contents
com.actelion.*
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com.actelion.research.calc.CorrelationCalculator Modifier and Type Constant Field Value public static final int
TYPE_BRAVAIS_PEARSON
0
public static final int
TYPE_NONE
-1
public static final int
TYPE_SPEARMAN
1
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com.actelion.research.calc.Matrix Modifier and Type Constant Field Value public static final double
TINY
1.0E-11
public static final double
TINY04
1.0E-4
public static final double
TINY08
1.0E-8
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com.actelion.research.calc.SelfOrganizedMap Modifier and Type Constant Field Value public static final int
cModeFastBestMatchFinding
32
public static final int
cModeGrowDuringOptimization
16
public static final int
cModeNeighbourhoodGaussean
0
public static final int
cModeNeighbourhoodLinear
2
public static final int
cModeNeighbourhoodMexicanHat
1
public static final int
cModeTopologyUnlimited
8
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com.actelion.research.calc.classification.ClassificationAttr Modifier and Type Constant Field Value public static final java.lang.String
NEG
"negative"
public static final java.lang.String
NO
"none"
public static final java.lang.String
POS
"positive"
public static final java.lang.String
TAG_TEST_CLASS
"TestClassPosNeg"
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com.actelion.research.calc.classification.PrecisionAndRecall Modifier and Type Constant Field Value public static final java.lang.String
ATTR_FN
"FN"
public static final java.lang.String
ATTR_FP
"FP"
public static final java.lang.String
ATTR_TN
"TN"
public static final java.lang.String
ATTR_TP
"TP"
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com.actelion.research.calc.histogram.ConstantsHistogram Modifier and Type Constant Field Value public static final double
TINY_FACTOR
0.01
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com.actelion.research.calc.regression.ConstantsRegressionMethods Modifier and Type Constant Field Value public static final int
DEFAULT_MODEL
3
public static final java.lang.String
MODEL_GAUSSIAN_PROCESS
"Gaussian process regression"
public static final java.lang.String
MODEL_KNN
"KNN regression"
public static final java.lang.String
MODEL_MEDIAN
"Median"
public static final java.lang.String
MODEL_NEURAL_NETWORK
"Neural network regression"
public static final java.lang.String
MODEL_PLS
"PLS"
public static final java.lang.String
MODEL_PLS_POWER
"PLS Power"
public static final java.lang.String
MODEL_RND_FOREST
"Random Forest regression"
public static final java.lang.String
MODEL_SVM
"SVM regression"
public static final java.lang.String
RESULT_EVALUATOR_BALANCED_R2_TRAIN_TEST
"BalancedR2TrainTest"
public static final java.lang.String
RESULT_EVALUATOR_MAXIMUM_R2_TEST
"MaximumR2Test"
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com.actelion.research.calc.regression.ParameterRegressionMethod Modifier and Type Constant Field Value public static final java.lang.String
TAG_NAME
"Name"
public static final java.lang.String
TAG_STRING
"ParameterToString"
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com.actelion.research.calc.regression.gaussianprocess.ParameterGaussianProcess Modifier and Type Constant Field Value public static final double
LAMBDA
0.005
public static final java.lang.String
TAG_LAMBDA
"Lambda"
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com.actelion.research.calc.regression.knn.KNNRegression Modifier and Type Constant Field Value public static final int
NEIGHBOURS
3
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com.actelion.research.calc.regression.knn.ParameterKNN Modifier and Type Constant Field Value public static final java.lang.String
TAG_NEIGHBOURS
"Neighbours"
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com.actelion.research.calc.regression.linear.pls.ParameterPLS Modifier and Type Constant Field Value public static final boolean
CENTER_DATA
true
public static final int
FACTORS
3
public static final java.lang.String
TAG_FACTORS
"Factors"
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com.actelion.research.calc.regression.linear.pls.PLSRegressionModelCalculator Modifier and Type Constant Field Value public static final int
FACTORS
15
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com.actelion.research.calc.regression.linear.pls.boxcox.ParameterPLSBoxCox Modifier and Type Constant Field Value public static final double
LAMBDA
0.4
public static final java.lang.String
TAG_LAMBDA
"Lambda"
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com.actelion.research.calc.regression.linear.pls.boxcox.PLSBoxCoxY Modifier and Type Constant Field Value public static final int
FACTORS
15
public static final double
LAMBDA
0.6
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com.actelion.research.calc.regression.neuralnetwork.NeuralNetworkParameterHelper Modifier and Type Constant Field Value public static final java.lang.String
ACTIVATION_FCT_LOG
"LogisticSigmoid"
public static final java.lang.String
ACTIVATION_FCT_TAN
"Tangens"
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com.actelion.research.calc.regression.neuralnetwork.ParameterNeuralNetwork Modifier and Type Constant Field Value public static final java.lang.String
TAG_ACTIVATION_FCT
"ActivationFunction"
public static final java.lang.String
TAG_INNERLAYER_ARCITECTURE
"InnerLayerArchitecture"
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com.actelion.research.calc.regression.randomforest.ParameterRandomForest Modifier and Type Constant Field Value public static final int
MAX_NODES
50
public static final double
MTRY
0.333
public static final int
NODE_SIZE
5
public static final int
NUM_TREES
100
public static final java.lang.String
TAG_MAX_NODES
"MaxNodes"
public static final java.lang.String
TAG_MTRY
"MTry"
public static final java.lang.String
TAG_NODE_SIZE
"NodeSize"
public static final java.lang.String
TAG_TREES
"NumTrees"
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com.actelion.research.calc.regression.randomforest.RandomForestRegression Modifier and Type Constant Field Value public static final int
MIN_NUM_VAR_SPLIT
3
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com.actelion.research.calc.regression.svm.ParameterSVM Modifier and Type Constant Field Value public static final java.lang.String
TAG_C
"C"
public static final java.lang.String
TAG_CACHE_SIZE
"CacheSize"
public static final java.lang.String
TAG_COEF0
"Coef0"
public static final java.lang.String
TAG_DEGREE
"Degree"
public static final java.lang.String
TAG_EPSILON
"Epsilon"
public static final java.lang.String
TAG_GAMMA
"Gamma"
public static final java.lang.String
TAG_KERNEL
"Kernel"
public static final java.lang.String
TAG_NR_WEIGHT
"nrWeight"
public static final java.lang.String
TAG_NU
"Nu"
public static final java.lang.String
TAG_P
"p"
public static final java.lang.String
TAG_PROBABILITY
"Probability"
public static final java.lang.String
TAG_SHRINKING
"Shrinking"
public static final java.lang.String
TAG_SVM_TYPE
"SVMRegressionType"
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com.actelion.research.calc.regression.svm.svm Modifier and Type Constant Field Value public static final int
LIBSVM_VERSION
323
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com.actelion.research.calc.regression.svm.SVMParameterHelper Modifier and Type Constant Field Value public static final int
DEGREE_ANALYTICALLY_PARAMETER_CALC
-1
public static final java.lang.String
KERNEL_TYPE_LINEAR
"Linear"
public static final java.lang.String
KERNEL_TYPE_POLY
"Poly"
public static final java.lang.String
KERNEL_TYPE_PRECOMPUTED
"Precomputed"
public static final java.lang.String
KERNEL_TYPE_RBF
"RBF"
public static final java.lang.String
KERNEL_TYPE_SIGMOID
"Sigmoid"
public static final java.lang.String
SVM_TYPE_C
"C_SVC"
public static final java.lang.String
SVM_TYPE_EPSILON_SVR
"EpsSVR"
public static final java.lang.String
SVM_TYPE_NU
"NU_SVC"
public static final java.lang.String
SVM_TYPE_NU_SVR
"NU_SVR"
public static final java.lang.String
SVM_TYPE_ONE_CLASS
"OneClass"
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com.actelion.research.calc.regression.svm.SVMRegression Modifier and Type Constant Field Value public static final int
LIMIT_ROWS_ANALYTICAL
1000
public static final double
NU
0.1
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com.actelion.research.calc.statistics.StatisticsOverview Modifier and Type Constant Field Value public static final java.lang.String
TAG_MEAN
"Avr"
public static final java.lang.String
TAG_MEDIAN
"Median"
public static final java.lang.String
TAG_PERCENTILE05
"Percentile.05"
public static final java.lang.String
TAG_PERCENTILE95
"Percentile.95"
public static final java.lang.String
TAG_SDV
"SDV"
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com.actelion.research.chem.AbstractDepictor<T> Modifier and Type Constant Field Value public static final int
cColorGray
1
public static final int
cDModeAtomNo
2
public static final int
cDModeBondNo
4
public static final int
cDModeHiliteAllQueryFeatures
8
public static final int
cDModeNoColorOnESRAndCIP
8192
public static final int
cDModeNoImplicitAtomLabelColors
2048
public static final int
cDModeNoImplicitHydrogen
16384
public static final int
cDModeNoStereoProblem
4096
public static final int
cDModeNoTabus
1
public static final int
cDModeShowMapping
16
public static final int
cDModeShowSymmetryDiastereotopic
512
public static final int
cDModeShowSymmetryEnantiotopic
1024
public static final int
cDModeShowSymmetrySimple
256
public static final int
cDModeSuppressChiralText
32
public static final int
cDModeSuppressCIPParity
64
public static final int
cDModeSuppressESR
128
public static final int
cModeChiralTextAboveMolecule
262144
public static final int
cModeChiralTextBelowMolecule
0
public static final int
cModeChiralTextOnFrameBottom
786432
public static final int
cModeChiralTextOnFrameTop
524288
protected static final int
cModeInflateToAVBL
196608
public static final int
cModeInflateToHighResAVBL
131072
public static final int
cModeInflateToMaxAVBL
65536
protected static final int
cModeMaxBondLength
65535
public static final int
cOptAvBondLen
24
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com.actelion.research.chem.AbstractDrawingObject Modifier and Type Constant Field Value protected static final java.lang.String
DESCRIPTOR_END
"></DrawingObject>"
protected static final java.lang.String
DESCRIPTOR_START
"<DrawingObject"
protected static final java.lang.String
DESCRIPTOR_TYPE
" type=\""
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com.actelion.research.chem.AtomTypeCalculator Modifier and Type Constant Field Value public static final int
cPropertiesAll
32702
public static final int
cPropertiesAtomAllylic
8
public static final int
cPropertiesAtomAromatic
4
public static final int
cPropertiesAtomCharged
4096
public static final int
cPropertiesAtomRingCount
8192
public static final int
cPropertiesAtomRingSize
2
public static final int
cPropertiesAtomSmallRing
1
public static final int
cPropertiesAtomStabilized
16
public static final int
cPropertiesBasicType
60
public static final int
cPropertiesConnAtomAromatic
2048
public static final int
cPropertiesConnAtomNeighbours
256
public static final int
cPropertiesConnAtomNeighboursExact
512
public static final int
cPropertiesConnAtomSmallRing
1024
public static final int
cPropertiesConnAtomStabilized
16384
public static final int
cPropertiesConnAtomType
128
public static final int
cPropertiesConnAtomTypeSimple
64
public static final int
cPropertiesConnBondOrder
32
public static final int
cPropertiesForCLogP
2145
public static final int
cPropertiesForCLogPCharges
6241
public static final int
cPropertiesForMutator
32190
public static final int
cPropertiesForSolubility
2144
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com.actelion.research.chem.Canonizer Modifier and Type Constant Field Value public static final int
ASSIGN_PARITIES_TO_TETRAHEDRAL_N
32
public static final int
cIDCodeCurrentVersion
9
protected static final int
cIDCodeVersion2
8
protected static final int
cIDCodeVersion3
9
public static final int
CONSIDER_DIASTEREOTOPICITY
2
public static final int
CONSIDER_ENANTIOTOPICITY
4
public static final int
CONSIDER_STEREOHETEROTOPICITY
6
public static final int
COORDS_ARE_3D
64
protected static final int
cParity1And
4
protected static final int
cParity1Or
6
protected static final int
cParity2And
5
protected static final int
cParity2Or
7
public static final int
CREATE_PSEUDO_STEREO_GROUPS
128
public static final int
CREATE_SYMMETRY_RANK
1
public static final int
DISTINGUISH_RACEMIC_OR_GROUPS
256
public static final int
ENCODE_ATOM_CUSTOM_LABELS
8
public static final int
ENCODE_ATOM_CUSTOM_LABELS_WITHOUT_RANKING
1024
public static final int
ENCODE_ATOM_SELECTION
16
public static final int
TIE_BREAK_FREE_VALENCE_ATOMS
512
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com.actelion.research.chem.ChemistryHelper Modifier and Type Constant Field Value public static final int
REACTION_TYPE_NOMOLS
0
public static final int
REACTION_TYPE_NOPRODUCTS
1
public static final int
REACTION_TYPE_NORMAL
3
public static final int
REACTION_TYPE_REACTANTS
2
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com.actelion.research.chem.ExtendedDepictor Modifier and Type Constant Field Value public static final int
TYPE_MARKUSH
2
public static final int
TYPE_MOLECULES
0
public static final int
TYPE_REACTION
1
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com.actelion.research.chem.ExtendedMolecule Modifier and Type Constant Field Value public static final int
cMaxConnAtoms
16
public static final float
FISCHER_PROJECTION_LIMIT
0.0872664675116539f
public static final float
FISCHER_PROJECTION_RING_LIMIT
24.0f
public static final float
STEREO_ANGLE_LIMIT
0.0872664675116539f
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com.actelion.research.chem.ExtendedMoleculeFunctions Modifier and Type Constant Field Value public static final int
COLOR_FOR_CENTER_SELECTION
128
public static final int
NUMBER_ELEMENTS
118
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com.actelion.research.chem.IsomericSmilesCreator Modifier and Type Constant Field Value public static final int
MODE_CREATE_SMARTS
1
public static final int
MODE_INCLUDE_MAPPING
2
public static final int
MODE_KEKULIZED_OUTPUT
4
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com.actelion.research.chem.Molecule Modifier and Type Constant Field Value public static final int
cAtomCIPParityNone
0
public static final int
cAtomCIPParityProblem
3
public static final int
cAtomCIPParityRorM
1
public static final int
cAtomCIPParitySorP
2
public static final int
cAtomColorBlue
64
public static final int
cAtomColorDarkGreen
384
public static final int
cAtomColorDarkRed
448
public static final int
cAtomColorGreen
192
public static final int
cAtomColorMagenta
256
public static final int
cAtomColorNone
0
public static final int
cAtomColorOrange
320
public static final int
cAtomColorRed
128
protected static final int
cAtomFlagAllylic
8192
protected static final int
cAtomFlagAromatic
4096
protected static final int
cAtomFlagConfigurationUnknown
67108864
protected static final int
cAtomFlagMarked
262144
protected static final int
cAtomFlags2RingBonds
1024
protected static final int
cAtomFlags3RingBonds
2048
protected static final int
cAtomFlags4RingBonds
3072
protected static final int
cAtomFlagsESR
66584576
protected static final int
cAtomFlagsHelper
261135
protected static final int
cAtomFlagsHelper2
31752
protected static final int
cAtomFlagsHelper3
134447111
protected static final int
cAtomFlagSmallRing
8
protected static final int
cAtomFlagsParity
3
protected static final int
cAtomFlagsRingBonds
3072
protected static final int
cAtomFlagStabilized
16384
protected static final int
cAtomFlagStereoProblem
131072
protected static final int
cAtomFlagsValence
-268435456
public static final int
cAtomParity1
1
public static final int
cAtomParity2
2
public static final int
cAtomParityIsPseudo
4
public static final int
cAtomParityNone
0
public static final int
cAtomParityUnknown
3
public static final int
cAtomQFAny
1
public static final int
cAtomQFAromatic
2
public static final int
cAtomQFAromState
6
public static final int
cAtomQFAromStateBits
2
public static final int
cAtomQFAromStateShift
1
public static final int
cAtomQFCharge
234881024
public static final int
cAtomQFChargeBits
3
public static final int
cAtomQFChargeShift
25
public static final int
cAtomQFExcludeGroup
536870912
public static final int
cAtomQFFlatNitrogen
268435456
public static final int
cAtomQFHydrogen
1920
public static final int
cAtomQFHydrogenBits
4
public static final int
cAtomQFHydrogenShift
7
public static final int
cAtomQFMatchStereo
8192
public static final int
cAtomQFMoreNeighbours
4096
public static final int
cAtomQFNarrowing
239060990
public static final int
cAtomQFNeighbourBits
5
public static final int
cAtomQFNeighbours
4063232
public static final int
cAtomQFNeighbourShift
17
public static final int
cAtomQFNoMoreNeighbours
2048
public static final int
cAtomQFNoOfBits
30
public static final int
cAtomQFNot0Hydrogen
128
public static final int
cAtomQFNot0Neighbours
131072
public static final int
cAtomQFNot0PiElectrons
16384
public static final int
cAtomQFNot1Hydrogen
256
public static final int
cAtomQFNot1Neighbour
262144
public static final int
cAtomQFNot1PiElectron
32768
public static final int
cAtomQFNot2Hydrogen
512
public static final int
cAtomQFNot2Neighbours
524288
public static final int
cAtomQFNot2PiElectrons
65536
public static final int
cAtomQFNot2RingBonds
16
public static final int
cAtomQFNot3Hydrogen
1024
public static final int
cAtomQFNot3Neighbours
1048576
public static final int
cAtomQFNot3RingBonds
32
public static final int
cAtomQFNot4Neighbours
2097152
public static final int
cAtomQFNot4RingBonds
64
public static final int
cAtomQFNotAromatic
4
public static final int
cAtomQFNotChain
8
public static final int
cAtomQFNotCharge0
67108864
public static final int
cAtomQFNotChargeNeg
33554432
public static final int
cAtomQFNotChargePos
134217728
public static final int
cAtomQFPiElectronBits
3
public static final int
cAtomQFPiElectrons
114688
public static final int
cAtomQFPiElectronShift
14
public static final int
cAtomQFRingSize
29360128
public static final int
cAtomQFRingSizeBits
3
public static final int
cAtomQFRingSizeShift
22
public static final int
cAtomQFRingState
120
public static final int
cAtomQFRingStateBits
4
public static final int
cAtomQFRingStateShift
3
public static final int
cAtomQFRxnParityBits
2
public static final int
cAtomQFRxnParityHint
-1073741824
public static final int
cAtomQFRxnParityInvert
-2147483648
public static final int
cAtomQFRxnParityRacemize
-1073741824
public static final int
cAtomQFRxnParityRetain
1073741824
public static final int
cAtomQFRxnParityShift
30
public static final int
cAtomQFSimpleFeatures
239060990
public static final int
cAtomRadicalState
48
public static final int
cAtomRadicalStateD
32
public static final int
cAtomRadicalStateNone
0
public static final int
cAtomRadicalStateS
16
public static final int
cAtomRadicalStateShift
4
public static final int
cAtomRadicalStateT
48
public static final int
cBondCIPParityEorP
1
public static final int
cBondCIPParityNone
0
public static final int
cBondCIPParityProblem
3
public static final int
cBondCIPParityZorM
2
protected static final int
cBondFlagAromatic
256
protected static final int
cBondFlagDelocalized
512
protected static final int
cBondFlagRing
64
protected static final int
cBondFlagsCIPParityShift
4
protected static final int
cBondFlagsESR
130048
protected static final int
cBondFlagsHelper2
960
protected static final int
cBondFlagsHelper3
63
protected static final int
cBondFlagSmallRing
128
protected static final int
cBondFlagsParity
3
public static final int
cBondParityEor1
1
public static final int
cBondParityNone
0
public static final int
cBondParityUnknown
3
public static final int
cBondParityZor2
2
public static final int
cBondQFAllFeatures
2097151
public static final int
cBondQFAromatic
524288
public static final int
cBondQFAromState
1572864
public static final int
cBondQFAromStateBits
2
public static final int
cBondQFAromStateShift
19
public static final int
cBondQFBondTypes
31
public static final int
cBondQFBondTypesBits
5
public static final int
cBondQFBondTypesShift
0
public static final int
cBondQFBridge
32640
public static final int
cBondQFBridgeBits
8
public static final int
cBondQFBridgeMin
1920
public static final int
cBondQFBridgeMinBits
4
public static final int
cBondQFBridgeMinShift
7
public static final int
cBondQFBridgeShift
7
public static final int
cBondQFBridgeSpan
30720
public static final int
cBondQFBridgeSpanBits
4
public static final int
cBondQFBridgeSpanShift
11
public static final int
cBondQFDelocalized
8
public static final int
cBondQFDouble
2
public static final int
cBondQFMatchStereo
262144
public static final int
cBondQFMetalLigand
16
public static final int
cBondQFNarrowing
1572960
public static final int
cBondQFNoOfBits
21
public static final int
cBondQFNotAromatic
1048576
public static final int
cBondQFNotRing
32
public static final int
cBondQFRing
64
public static final int
cBondQFRingSize
229376
public static final int
cBondQFRingSizeBits
3
public static final int
cBondQFRingSizeShift
15
public static final int
cBondQFRingState
96
public static final int
cBondQFRingStateBits
2
public static final int
cBondQFRingStateShift
5
public static final int
cBondQFSimpleFeatures
1572991
public static final int
cBondQFSingle
1
public static final int
cBondQFTriple
4
public static final int
cBondTypeCross
26
public static final int
cBondTypeDeleted
128
public static final int
cBondTypeDelocalized
64
public static final int
cBondTypeDouble
2
public static final int
cBondTypeDown
9
public static final int
cBondTypeIncreaseOrder
127
protected static final int
cBondTypeMaskSimple
103
protected static final int
cBondTypeMaskStereo
24
public static final int
cBondTypeMetalLigand
32
public static final int
cBondTypeSingle
1
public static final int
cBondTypeTriple
4
public static final int
cBondTypeUp
17
public static final int
cChiralityDiastereomers
458752
public static final int
cChiralityEpimers
393216
public static final int
cChiralityIsomerCountMask
65535
public static final int
cChiralityKnownEnantiomer
262144
public static final int
cChiralityMeso
131072
public static final int
cChiralityNotChiral
65536
public static final int
cChiralityRacemic
196608
public static final int
cChiralityUnknown
0
public static final int
cChiralityUnknownEnantiomer
327680
public static final int
cDefaultAtomValence
6
public static final int
cESRGroupBits
5
public static final int
cESRMaxGroups
32
public static final int
cESRTypeAbs
0
public static final int
cESRTypeAnd
1
public static final int
cESRTypeOr
2
public static final int
cHelperBitCIP
16
public static final int
cHelperBitIncludeNitrogenParities
256
public static final int
cHelperBitNeighbours
1
public static final int
cHelperBitParities
8
public static final int
cHelperBitRings
4
public static final int
cHelperBitRingsSimple
2
public static final int
cHelperBitsStereo
504
public static final int
cHelperBitSymmetryDiastereotopic
64
public static final int
cHelperBitSymmetryEnantiotopic
128
public static final int
cHelperBitSymmetrySimple
32
public static final int
cHelperCIP
31
public static final int
cHelperNeighbours
1
public static final int
cHelperNone
0
public static final int
cHelperParities
15
public static final int
cHelperRings
7
public static final int
cHelperRingsSimple
3
public static final int
cHelperSymmetryDiastereotopic
95
public static final int
cHelperSymmetryEnantiotopic
159
public static final int
cHelperSymmetrySimple
63
public static final int
cMaxAtomicNo
190
public static final int
cMoleculeColorDefault
0
public static final int
cMoleculeColorNeutral
1
-
com.actelion.research.chem.Molecule3D Modifier and Type Constant Field Value public static final int
ATTACHED_HYDROGEN_COUNT
960
public static final int
ATTACHED_HYDROGEN_COUNT_SHIFT
6
public static final int
BACKBONE
4
public static final int
FLAG1
8
public static final int
IMPORTANT
16
public static final int
INFO_AMINO
4
public static final int
INFO_ATOMNAME
3
public static final int
INFO_ATOMSEQUENCE
1
public static final int
INFO_BFACTOR
7
public static final int
INFO_CHAINID
6
public static final int
INFO_DESCRIPTION
0
public static final int
INFO_INTERACTION_ATOM_TYPE
2
public static final int
INFO_PPP
5
public static final int
INFO_RESSEQUENCE
8
public static final int
LIGAND
2
public static final int
PREOPTIMIZED
32
public static final int
RIGID
1
-
com.actelion.research.chem.MoleculeStandardizer Modifier and Type Constant Field Value public static final int
MODE_ADD_NA_AND_CL
2
public static final int
MODE_GET_PARENT
1
-
com.actelion.research.chem.MolfileParser Modifier and Type Constant Field Value public static final int
MODE_KEEP_HYDROGEN_MAP
1
-
com.actelion.research.chem.Mutation Modifier and Type Constant Field Value public static final int
MUTATION_ADD_ATOM
1
public static final int
MUTATION_CHANGE_ATOM
4
public static final int
MUTATION_CHANGE_BOND
64
public static final int
MUTATION_CHANGE_RING
256
public static final int
MUTATION_CLOSE_RING
32
public static final int
MUTATION_CLOSE_RING_AND_AROMATIZE
512
public static final int
MUTATION_CUTOUT_ATOM
8
public static final int
MUTATION_CUTOUT_SFRAGMENT
16384
public static final int
MUTATION_DELETE_ATOM
16
public static final int
MUTATION_DELETE_BOND
128
public static final int
MUTATION_DELETE_SUBSTITUENT
8192
public static final int
MUTATION_INSERT_ATOM
2
public static final int
MUTATION_INVERT_PARITY
32768
public static final int
MUTATION_MIGRATE
2048
public static final int
MUTATION_SWAP_SUBSTITUENT
4096
public static final int
MUTATION_TOGGLE_AMID_SULFONAMID
1024
-
com.actelion.research.chem.Mutator Modifier and Type Constant Field Value public static final int
MUTATION_ANY
65535
public static final int
MUTATION_GROW
3
public static final int
MUTATION_KEEP_SIZE
40932
public static final int
MUTATION_SHRINK
24600
-
com.actelion.research.chem.PeriodicTable Modifier and Type Constant Field Value public static final int
Bromine
35
public static final int
Carbon
6
public static final int
Chlorine
17
public static final int
ConnectionPoint
0
public static final int
Fluorine
9
public static final int
Hydrogen
1
public static final int
Iodine
53
public static final int
Nitrogen
7
public static final int
Oxygen
8
public static final int
Phosphorus
15
public static final int
Silicon
14
public static final int
Sulfur
16
-
com.actelion.research.chem.RingCollection Modifier and Type Constant Field Value public static final int
MAX_SMALL_RING_SIZE
7
public static final int
MODE_INCLUDE_TAUTOMERIC_BONDS
8
public static final int
MODE_SMALL_AND_LARGE_RINGS
3
public static final int
MODE_SMALL_AND_LARGE_RINGS_AND_AROMATICITY
7
public static final int
MODE_SMALL_RINGS_AND_AROMATICITY
5
public static final int
MODE_SMALL_RINGS_ONLY
1
-
com.actelion.research.chem.SDFileMolecule Modifier and Type Constant Field Value public static final transient java.lang.String
CMNT_FIELD
"CMNT"
public static final transient java.lang.String
DENSITY_FIELD
"DENSITY"
public static final transient java.lang.String
ID_FIELD
"ID"
public static final transient java.lang.String
NAME_FIELD
"NAME"
public static final transient java.lang.String
PURITY_FIELD
"PURITY"
-
com.actelion.research.chem.SimpleCanonizer Modifier and Type Constant Field Value public static final int
MAX_ATOM_BITS
8
-
com.actelion.research.chem.SmilesParser Modifier and Type Constant Field Value public static final int
MODE_MAKE_HYDROGEN_EXPLICIT
8
public static final int
MODE_SKIP_COORDINATE_TEMPLATES
4
public static final int
SMARTS_MODE_GUESS
1
public static final int
SMARTS_MODE_IS_SMARTS
2
public static final int
SMARTS_MODE_IS_SMILES
0
-
com.actelion.research.chem.SSSearcher Modifier and Type Constant Field Value public static final int
cCountModeExistance
1
public static final int
cCountModeFirstMatch
2
public static final int
cCountModeOverlapping
4
public static final int
cCountModeRigorous
5
public static final int
cCountModeSeparated
3
public static final int
cCountModeUnique
6
public static final int
cDefaultMatchMode
8
public static final int
cIndexMatchMode
4
public static final int
cMatchAromDBondToDelocalized
8
public static final int
cMatchAtomCharge
1
public static final int
cMatchAtomMass
2
public static final int
cMatchDBondToDelocalized
4
-
com.actelion.research.chem.SSSearcherWithIndex Modifier and Type Constant Field Value public static final java.lang.String
cIndexVersion
"1.2.1"
-
com.actelion.research.chem.StereoMolecule Modifier and Type Constant Field Value public static final java.lang.String
VALIDATION_ERROR_AMBIGUOUS_CONFIGURATION
"Ambiguous configuration at stereo center because of 2 parallel bonds"
public static final java.lang.String
VALIDATION_ERROR_ESR_CENTER_UNKNOWN
"Members of ESR groups must only be stereo centers with known configuration."
public static final java.lang.String
VALIDATION_ERROR_OVER_UNDER_SPECIFIED
"Over- or under-specified stereo feature or more than one racemic type bond"
-
com.actelion.research.chem.StructureInfo Modifier and Type Constant Field Value public static final java.lang.String
FLD_CMNT
"FLD_CMNT"
public static final java.lang.String
FLD_DENSITY
"FLD_DENSITY"
public static final java.lang.String
FLD_ID
"FLD_ID"
public static final java.lang.String
FLD_NAME
"FLD_NAME"
public static final java.lang.String
FLD_PURITY
"FLD_PURITY"
-
com.actelion.research.chem.StructureSearchDataSource Modifier and Type Constant Field Value public static final long
SEARCH_TYPE_NOT_SUPPORTED
-1L
-
com.actelion.research.chem.StructureSearchSpecification Modifier and Type Constant Field Value public static final int
MODE_LARGEST_FRAGMENT_ONLY
256
public static final int
TYPE_BACKBONE_NO_STEREO
7
public static final int
TYPE_EXACT_NO_STEREO
4
public static final int
TYPE_EXACT_STRICT
3
public static final int
TYPE_NO_STRUCTURE
0
public static final int
TYPE_SIMILARITY
2
public static final int
TYPE_SUBSTRUCTURE
1
public static final int
TYPE_TAUTOMER
5
public static final int
TYPE_TAUTOMER_NO_STEREO
6
-
com.actelion.research.chem.SVGDepictor Modifier and Type Constant Field Value public static final int
DEFAULT_ELEM_WIDTH
8
-
com.actelion.research.chem.TextDrawingObject Modifier and Type Constant Field Value public static final double
DEFAULT_SIZE
9.0
public static final int
DEFAULT_STYLE
0
public static final java.lang.String
TYPE_STRING
"text"
-
com.actelion.research.chem.alignment3d.transformation.ExponentialMap Modifier and Type Constant Field Value public static final double
CUTOFF_ANGLE
3.141592653589793
public static final double
EPSILON
1.0E-6
-
com.actelion.research.chem.alignment3d.transformation.Transformation Modifier and Type Constant Field Value public static final java.lang.String
DELIMITER
" "
public static final java.lang.String
ROTATION
"r"
public static final java.lang.String
SCALING
"s"
public static final java.lang.String
TRANSLATION
"t"
-
com.actelion.research.chem.alignment3d.transformation.TransformationSequence Modifier and Type Constant Field Value public static final char
DELIMITER_END
125
public static final char
DELIMITER_START
123
-
com.actelion.research.chem.chemicalspaces.synthon.SynthonReactor Modifier and Type Constant Field Value public static final int
CONNECTOR_OFFSET
92
-
com.actelion.research.chem.conf.BondLengthSet Modifier and Type Constant Field Value public static final float
DEFAULT_BOND_LENGTH
2.000499963760376f
public static final float
DEFAULT_BOND_STDDEV
1.0f
-
com.actelion.research.chem.conf.ConformerSetGenerator Modifier and Type Constant Field Value public static final int
CONFORMERS
200
-
com.actelion.research.chem.conf.TorsionDB Modifier and Type Constant Field Value public static final int
DEFAULT_MERGE_SPAN
15
public static final int
MODE_ANGLES
1
public static final int
MODE_BINS
2
public static final int
TORSION_GREEN
0
public static final int
TORSION_NOT_FOUND
-1
public static final int
TORSION_RED
2
public static final int
TORSION_YELLOW
1
-
com.actelion.research.chem.conf.TorsionDetail Modifier and Type Constant Field Value public static final int
SYMMETRY_C1C1_OR_C1D1
0
public static final int
SYMMETRY_C1D2
1
public static final int
SYMMETRY_D1D1
2
public static final int
SYMMETRY_D1D2_OR_D2D2
3
-
com.actelion.research.chem.conf.torsionstrain.StatisticalTorsionPotential Modifier and Type Constant Field Value public static final double
BIN_SIZE
5.0
public static final double
CHI
1.0E-4
public static final double
MAX
10.0
public static final double
OCCURENCE_CUTOFF
500.0
-
com.actelion.research.chem.contrib.HoseCodeCreator Modifier and Type Constant Field Value public static final int
FULL_HOSE_CODE
0
public static final int
HOSE_CODE_CUT_C_SP3_SP3
1
-
com.actelion.research.chem.coords.CoordinateInventor Modifier and Type Constant Field Value protected static final int
MODE_CONSIDER_MARKED_ATOMS
12
public static final int
MODE_DEFAULT
2
public static final int
MODE_KEEP_MARKED_ATOM_COORDS
4
public static final int
MODE_PREFER_MARKED_ATOM_COORDS
8
public static final int
MODE_REMOVE_HYDROGEN
2
public static final int
MODE_SKIP_DEFAULT_TEMPLATES
1
-
com.actelion.research.chem.descriptor.DescriptorConstants Modifier and Type Constant Field Value public static final int
DESCRIPTOR_TYPE_MOLECULE
1
public static final int
DESCRIPTOR_TYPE_REACTION
2
public static final int
DESCRIPTOR_TYPE_UNKNOWN
-1
-
com.actelion.research.chem.descriptor.DescriptorEncoder Modifier and Type Constant Field Value public static final int
MAX_COUNT_VALUE
63
-
com.actelion.research.chem.descriptor.DescriptorHandler<T,U> Modifier and Type Constant Field Value public static final java.lang.String
FAILED_STRING
"Calculation Failed"
-
com.actelion.research.chem.descriptor.DescriptorHandlerFFP512 Modifier and Type Constant Field Value public static final java.lang.String
VERSION
"1.2.1"
-
com.actelion.research.chem.descriptor.DescriptorHandlerFlexophore Modifier and Type Constant Field Value public static final boolean
DEBUG
false
protected static final int
MAX_NUM_HEAVY_ATOMS
70
public static final int
MAX_NUM_SOLUTIONS
1000
protected static final int
MIN_NUM_ATOMS
6
public static final int
MODE_PPNODE_SIMILARITY_COMPARISON
1
public static final int
NUM_CONFORMATIONS
250
public static final java.lang.String
PARA_TAG_HISTOGRAM_SIMILARITY_THRESH
"ThreshHistogramSimilarity"
public static final java.lang.String
PARA_TAG_MODE_MATCH
"PPNodeMatchMode"
public static final java.lang.String
PARA_TAG_MODE_SINGLE_CONFORMATION_QUERY
"SingleConfQuery"
public static final java.lang.String
PARA_TAG_PPNODE_SIMILARITY_THRESH
"ThreshNodeSimilarity"
public static final java.lang.String
SEP_PARAMETER
","
public static final double
THRESH_HISTOGRAM_SIMILARITY
0.15
public static final double
THRESH_SIMILARITY_COMPARISON_NODE
0.9
public static final int
VERSION_INTERACTION_TABLES
-1
-
com.actelion.research.chem.descriptor.DescriptorHandlerLongFFP512 Modifier and Type Constant Field Value public static final java.lang.String
VERSION
"1.2.1"
-
com.actelion.research.chem.descriptor.DescriptorHandlerReactionFP Modifier and Type Constant Field Value public static final java.lang.String
cVersion
"1.0.0"
public static final float
PERIPHERY_WEIGHT
0.19999998807907104f
public static final int
REACTION_CENTER_LONG_COUNT
8
public static final float
REACTION_CENTER_WEIGHT
0.800000011920929f
-
com.actelion.research.chem.descriptor.DescriptorHelper Modifier and Type Constant Field Value public static final java.lang.String
TAG_SIMILARITY
"Similarity"
-
com.actelion.research.chem.descriptor.SimilarityCalculatorDoubleArray Modifier and Type Constant Field Value public static final java.lang.String
NAME
"SimilarityCalculatorDoubleArray"
public static final java.lang.String
SHORT_NAME
"SimCalcDblArray"
-
com.actelion.research.chem.descriptor.flexophore.ConstantsFlexophore Modifier and Type Constant Field Value public static final int
FLAG_CENTER_ATOM
16
public static final int
MAX_NUM_NODES_FLEXOPHORE
64
public static final byte
MODE_HARD_PPPOINTS
1
public static final byte
MODE_SOFT_PPPOINTS
0
-
com.actelion.research.chem.descriptor.flexophore.ConstantsFlexophoreHardPPPoints Modifier and Type Constant Field Value public static final java.lang.String
ATTR_ACCEPTOR
"a"
public static final java.lang.String
ATTR_ALIPHATIC
"l"
public static final java.lang.String
ATTR_AROMATIC
"r"
public static final java.lang.String
ATTR_DONOR
"d"
public static final java.lang.String
ATTR_NEGATIVE_CHARGE
"-"
public static final java.lang.String
ATTR_POSITIVE_CHARGE
"+"
-
com.actelion.research.chem.descriptor.flexophore.MolDistHist Modifier and Type Constant Field Value public static final boolean
VERBOSE
false
-
com.actelion.research.chem.descriptor.flexophore.MolDistHistViz Modifier and Type Constant Field Value public static final int
CAPACITY_INEVITABLE_PPPOINTS
5
public static final int
DESCRIBE_ALL
1
public static final int
DESCRIBE_MAPPED
2
public static final java.lang.String
TAG_VIZ_INFO_ENCODED
"Flexophore2VizInfo"
-
com.actelion.research.chem.descriptor.flexophore.MolDistHistVizEncoder Modifier and Type Constant Field Value public static final java.lang.String
SEP
"-1"
-
com.actelion.research.chem.descriptor.flexophore.PPNode Modifier and Type Constant Field Value public static final int
DUMMY_INTERACT_ID
37
public static final int
INFO_DEFAULT
-1
public static final java.lang.String
MULT_FREQ
"*"
public static final int
NUM_BYTES_INTERACTION_TYPE
3
public static final java.lang.String
SEPARATOR_ATOMS
","
-
com.actelion.research.chem.descriptor.flexophore.UnparametrizedAtomTypeException Modifier and Type Constant Field Value public static final long
serialVersionUID
23072007L
-
com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.ObjectiveBlurFlexophoreHardMatchUncovered Modifier and Type Constant Field Value public static final java.lang.String
INFO
""
public static final double
THRESH_HISTOGRAM_SIMILARITY
0.15
public static final java.lang.String
VERSION
"02.04.2020 08:00"
-
com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.PPNodeSimilarity Modifier and Type Constant Field Value public static final double
HARD_MATCH_OPTIMISTIC_PERCENTILE
0.75
public static final int
SIMILARITY_MODE_CARBON
4
public static final int
SIMILARITY_MODE_HARD_THRESH
1
public static final int
SIMILARITY_MODE_HARD_THRESH_AVR
2
public static final int
SIMILARITY_MODE_HARD_THRESH_OPTIMISTIC
3
public static final int
SIMILARITY_MODE_SIMPLE
0
public static final double
THRESH_SIMILARITY_HARD_MATCH
0.9
-
com.actelion.research.chem.descriptor.flexophore.example.MatchFlexophoreNodesMain Modifier and Type Constant Field Value public static final java.lang.String
IDCODE_100
"ffchb@DXXJWb`dLbbRbrrTTRRMNRUGL@QSPPQQ@@@"
public static final java.lang.String
IDCODE_101
"fi{iA@IJcdn`Xa@cHhhdmDeDdmDjfBM[MXHHZj`bJp@@@"
-
com.actelion.research.chem.descriptor.flexophore.generator.ConstantsFlexophoreGenerator Modifier and Type Constant Field Value public static final int
BINS_HISTOGRAM
80
public static final int
INTERACTION_TYPE_NONE
-1
public static final boolean
OPTIMIZE_RIGID_FRAGS
false
public static final int
RANGE_HISTOGRAM
40
-
com.actelion.research.chem.descriptor.flexophore.generator.CreatorMolDistHistViz Modifier and Type Constant Field Value public static final int
CONF_GIVEN_SINGLE_CONFORMATION
1
-
com.actelion.research.chem.descriptor.pharmacophoretree.PharmacophoreNode Modifier and Type Constant Field Value public static final double
CHEM_SIM_WEIGHT
0.7
public static final int
LINK_NODE
6
public static final int
ZERO_NODE
1
-
com.actelion.research.chem.descriptor.pharmacophoretree.PharmacophoreTree Modifier and Type Constant Field Value public static final int
CUT_LEFT
-1
public static final int
CUT_NONE
0
public static final int
CUT_RIGHT
1
-
com.actelion.research.chem.descriptor.pharmacophoretree.PharmacophoreTreeGenerator Modifier and Type Constant Field Value public static final int
MAX_RING_SIZE
50
-
com.actelion.research.chem.descriptor.pharmacophoretree.TreeMatcher Modifier and Type Constant Field Value public static final double
ALPHA
0.8
public static final int
EXTENSION_MATCH_NODE_NR_LIMIT
3
public static final int
EXTENSION_MATCHES
3
public static final int
INITIAL_SPLITS
5
public static final double
MATCH_BALANCE
2.0
public static final int
MATCH_NODE_NR_LIMIT
2
public static final double
MATCH_SIZE_LIMIT
3.0
public static final double
NULL_MATCH_SCALING
0.5
public static final double
SIMILARITY_SCALING_SPLIT_SCORE
0.6
public static final double
SIZE_RATIO
2.0
-
com.actelion.research.chem.docking.DockingEngine Modifier and Type Constant Field Value public static final double
GRID_DIMENSION
6.0
public static final double
GRID_RESOLUTION
0.5
public static final int
MCS_EXHAUSTIVENESS
3
public static final double
MINI_CUTOFF
100.0
-
com.actelion.research.chem.docking.scoring.plp.REPTerm Modifier and Type Constant Field Value public static final double
A
3.2
public static final double
B
5.0
public static final double
B_sq
25.0
public static final double
C
0.05
public static final double
D
20.0
-
com.actelion.research.chem.forcefield.AbstractForceField Modifier and Type Constant Field Value public static final double
EPS
3.0E-8
public static final double
FUNCTOL
1.0E-4
public static final double
MAXSTEP
100.0
public static final double
MOVETOL
1.0E-7
public static final double
TOLX
1.2E-7
-
com.actelion.research.chem.forcefield.mmff.Constants Modifier and Type Constant Field Value public static final double
DEG2RAD
0.017453292519943295
public static final double
MDYNE_A_TO_KCAL_MOL
143.9325
public static final double
RAD2DEG
57.29577951308232
-
com.actelion.research.chem.forcefield.mmff.ForceFieldMMFF94 Modifier and Type Constant Field Value public static final java.lang.String
MMFF94
"MMFF94"
public static final java.lang.String
MMFF94S
"MMFF94s"
public static final java.lang.String
MMFF94SPLUS
"MMFF94s+"
-
com.actelion.research.chem.forcefield.mmff.table.VanDerWaals Modifier and Type Constant Field Value public final double
b
0.2
public final double
beta
12.0
public final double
daeps
0.5
public final double
darad
0.8
public final double
power
0.25
-
com.actelion.research.chem.interactionstatistics.InteractionDistanceStatistics Modifier and Type Constant Field Value public static final double
BIN_SIZE
0.2
public static final double
CHI
1.0E-4
public static final double
CUTOFF_RADIUS
6.0
public static final double
MAX
10.0
public static final double
OCCURENCE_CUTOFF
500.0
-
com.actelion.research.chem.io.CompoundFileHelper Modifier and Type Constant Field Value public static final int
cFileTypeDataWarrior
1
public static final int
cFileTypeDataWarriorCompatibleData
1097969
public static final int
cFileTypeDataWarriorMacro
8
public static final int
cFileTypeDataWarriorQuery
4
public static final int
cFileTypeDataWarriorTemplate
2
public static final int
cFileTypeDataWarriorTemplateContaining
7
public static final int
cFileTypeDirectory
-2
public static final int
cFileTypeGIF
2048
public static final int
cFileTypeJPG
1024
public static final int
cFileTypeMask
262143
public static final int
cFileTypeMMTF
524288
public static final int
cFileTypeMOL
65536
public static final int
cFileTypeMOL2
131072
public static final int
cFileTypePDB
262144
public static final int
cFileTypePictureFile
15360
public static final int
cFileTypePNG
4096
public static final int
cFileTypeProtein
786432
public static final int
cFileTypeRD
49152
public static final int
cFileTypeRDV2
32768
public static final int
cFileTypeRDV3
16384
public static final int
cFileTypeRXN
256
public static final int
cFileTypeSD
192
public static final int
cFileTypeSDGZ
1048576
public static final int
cFileTypeSDV2
128
public static final int
cFileTypeSDV3
64
public static final int
cFileTypeSOM
512
public static final int
cFileTypeSVG
8192
public static final int
cFileTypeText
48
public static final int
cFileTypeTextCommaSeparated
32
public static final int
cFileTypeTextTabDelimited
16
public static final int
cFileTypeUnknown
-1
public static final java.lang.String
cGZipExtention
".gz"
-
com.actelion.research.chem.io.CompoundTableConstants Modifier and Type Constant Field Value public static final boolean
cAllowLogModeForNegativeOrZeroValues
true
public static final java.lang.String
cAutoStartMacro
"autoStartMacro"
public static final java.lang.String
cColumnName
"columnName"
public static final java.lang.String
cColumnNameRowList
"List \'"
public static final java.lang.String
cColumnProperty
"columnProperty"
public static final java.lang.String
cColumnProperty3DFragmentSplit
"split3D"
public static final java.lang.String
cColumnPropertyBinBase
"binBase"
public static final java.lang.String
cColumnPropertyBinIsDate
"binIsDate"
public static final java.lang.String
cColumnPropertyBinIsLog
"binIsLog"
public static final java.lang.String
cColumnPropertyBinSize
"binSize"
public static final java.lang.String
cColumnPropertyCalculated
"calculated"
public static final java.lang.String
cColumnPropertyCommentDepartment
"commentDepartment"
public static final java.lang.String
cColumnPropertyCommentUploadStatus
"commentUploadStatus"
public static final java.lang.String
cColumnPropertyCyclicDataMax
"cyclicDataMax"
public static final java.lang.String
cColumnPropertyDataMax
"dataMax"
public static final java.lang.String
cColumnPropertyDataMin
"dataMin"
public static final java.lang.String
cColumnPropertyDescriptorVersion
"version"
public static final java.lang.String
cColumnPropertyDetailCount
"detailCount"
public static final java.lang.String
cColumnPropertyDetailName
"detailName"
public static final java.lang.String
cColumnPropertyDetailSeparator
"detailSeparator"
public static final java.lang.String
cColumnPropertyDetailSource
"detailSource"
public static final java.lang.String
cColumnPropertyDetailType
"detailType"
public static final java.lang.String
cColumnPropertyDisplayGroup
"displayGroup"
public static final java.lang.String
cColumnPropertyEnd
"</column properties>"
public static final java.lang.String
cColumnPropertyFormula
"formula"
public static final java.lang.String
cColumnPropertyGroupName
"groupName"
public static final java.lang.String
cColumnPropertyImagePath
"imagePath"
public static final java.lang.String
cColumnPropertyIsClusterNo
"isClusterNo"
public static final java.lang.String
cColumnPropertyIsDisplayable
"isDisplayable"
public static final java.lang.String
cColumnPropertyIsFragment
"isFragment"
public static final java.lang.String
cColumnPropertyLaunchAllowMultiple
"launchAllowMultiple"
public static final java.lang.String
cColumnPropertyLaunchCommand
"launchCommand"
public static final java.lang.String
cColumnPropertyLaunchCount
"launchCount"
public static final java.lang.String
cColumnPropertyLaunchDecoration
"launchDecoration"
public static final java.lang.String
cColumnPropertyLaunchName
"launchName"
public static final java.lang.String
cColumnPropertyLaunchOption
"launchOption"
public static final java.lang.String
cColumnPropertyLookupCount
"lookupCount"
public static final java.lang.String
cColumnPropertyLookupDetailURL
"lookupDetailURL"
public static final java.lang.String
cColumnPropertyLookupEncode
"lookupEncode"
public static final java.lang.String
cColumnPropertyLookupFilter
"lookupFilter"
public static final java.lang.String
cColumnPropertyLookupFilterRemoveMinus
"lookupFilterRemoveMinus"
public static final java.lang.String
cColumnPropertyLookupName
"lookupName"
public static final java.lang.String
cColumnPropertyLookupURL
"lookupURL"
public static final java.lang.String
cColumnPropertyNaturalLigand
"naturalLigand"
public static final java.lang.String
cColumnPropertyOpenExternalName
"openExternalName"
public static final java.lang.String
cColumnPropertyOpenExternalPath
"openExternalPath"
public static final java.lang.String
cColumnPropertyOrbitType
"orbitType"
public static final java.lang.String
cColumnPropertyParentColumn
"parent"
public static final java.lang.String
cColumnPropertyProteinCavity
"proteinCavity"
public static final java.lang.String
cColumnPropertyReactionPart
"reactionPart"
public static final java.lang.String
cColumnPropertyReferencedColumn
"refColumn"
public static final java.lang.String
cColumnPropertyReferenceStrengthColumn
"refStrengthColumn"
public static final java.lang.String
cColumnPropertyReferenceType
"refType"
public static final java.lang.String
cColumnPropertyReferenceTypeRedundant
"redundant"
public static final java.lang.String
cColumnPropertyReferenceTypeTopDown
"topdown"
public static final java.lang.String
cColumnPropertyRelatedCatalystColumn
"catalystColumn"
public static final java.lang.String
cColumnPropertyRelatedIdentifierColumn
"idColumn"
public static final java.lang.String
cColumnPropertyShowNaturalLigand
"showNaturalLigand"
public static final java.lang.String
cColumnPropertySpecialType
"specialType"
public static final java.lang.String
cColumnPropertyStart
"<column properties>"
public static final java.lang.String
cColumnPropertySuperpose
"superpose"
public static final java.lang.String
cColumnPropertySuperposeAlign
"align"
public static final java.lang.String
cColumnPropertySuperposeMolecule
"superposeMol"
public static final java.lang.String
cColumnPropertyUseThumbNail
"useThumbNail"
public static final java.lang.String
cColumnType2DCoordinates
"idcoordinates2D"
public static final java.lang.String
cColumnType3DCoordinates
"idcoordinates3D"
public static final java.lang.String
cColumnTypeAtomColorInfo
"atomColorInfo"
public static final java.lang.String
cColumnTypeFlagColors
"flagColors"
public static final java.lang.String
cColumnTypeIDCode
"idcode"
public static final java.lang.String
cColumnTypeNegRecImage
"negRecImg"
public static final java.lang.String
cColumnTypeReactionMapping
"atomMapping"
public static final java.lang.String
cColumnTypeReactionObjects
"reactionObjects"
public static final java.lang.String
cColumnTypeRXNCode
"rxncode"
public static final java.lang.String
cColumnTypeTransformation
"transformation"
public static final java.lang.String
cColumnUnassignedCode
"<none>"
public static final java.lang.String
cColumnUnassignedItemText
"<Unassigned>"
public static final java.lang.String
cDataDependentPropertiesEnd
"</data dependent properties>"
public static final java.lang.String
cDataDependentPropertiesStart
"<data dependent properties type=\""
public static final int
cDataTypeAutomatic
0
public static final int
cDataTypeDate
3
public static final int
cDataTypeFloat
1
public static final int
cDataTypeInteger
2
public static final int
cDataTypeString
4
public static final java.lang.String
cDefaultDetailSeparator
"|#|"
public static final java.lang.String
cDetailDataEnd
"</detail data>"
public static final java.lang.String
cDetailDataStart
"<detail data>"
public static final java.lang.String
cDetailID
"detailID"
public static final java.lang.String
cDetailIndexSeparator
":"
public static final java.lang.String
cEntrySeparator
"; "
public static final java.lang.String
cExtensionNameFileExplanation
"explanation"
public static final java.lang.String
cExtensionNameMacroList
"macroList"
public static final java.lang.String
cFileExplanationEnd
"</datawarrior explanation>"
public static final java.lang.String
cFileExplanationStart
"<datawarrior explanation>"
public static final java.lang.String
cHitlistData
"hitlistData"
public static final java.lang.String
cHitlistDataEnd
"</hitlist data>"
public static final java.lang.String
cHitlistDataStart
"<hitlist data>"
public static final java.lang.String
cHitlistName
"hitlistName"
public static final java.lang.String
cLineSeparator
"\n"
public static final byte
cLineSeparatorByte
10
public static final java.lang.String
cMacroListEnd
"</datawarrior macroList>"
public static final java.lang.String
cMacroListStart
"<datawarrior macroList>"
public static final int
cMaxDateOrDoubleCategoryCount
16384
public static final int
cMaxTextCategoryCount
65536
public static final java.lang.String
cNativeFileCreated
"created"
public static final java.lang.String
cNativeFileHeaderEnd
"</datawarrior-fileinfo>"
public static final java.lang.String
cNativeFileHeaderStart
"<datawarrior-fileinfo>"
public static final java.lang.String
cNativeFileRowCount
"rowcount"
public static final java.lang.String
cNativeFileVersion
"version"
public static final java.lang.String
cPropertiesEnd
"</datawarrior properties>"
public static final java.lang.String
cPropertiesStart
"<datawarrior properties>"
public static final java.lang.String
cRangeNotAvailable
"<none>"
public static final java.lang.String
cRangeSeparation
" <= x < "
public static final int
cReactionHiliteModeMapping
1
public static final int
cReactionHiliteModeNone
2
public static final int
cReactionHiliteModeReactionCenter
0
public static final java.lang.String
cReactionPartDelimiter
" of "
public static final java.lang.String
cReactionPartProducts
"products"
public static final java.lang.String
cReactionPartReactants
"reactants"
public static final java.lang.String
cReactionPartReaction
"reaction"
public static final int
cStructureHiliteModeCurrentRow
1
public static final int
cStructureHiliteModeFilter
0
public static final int
cStructureHiliteModeNone
2
public static final int
cSummaryModeMaximum
4
public static final int
cSummaryModeMean
1
public static final int
cSummaryModeMedian
2
public static final int
cSummaryModeMinimum
3
public static final int
cSummaryModeNormal
0
public static final int
cSummaryModeSum
5
public static final java.lang.String
cSuperposeAlignValueShape
"shape"
public static final java.lang.String
cSuperposeValueReferenceRow
"refRow"
public static final java.lang.String
cTemplateTagName
"datawarrior properties"
public static final int
cTextExclusionTypeContains
1
public static final int
cTextExclusionTypeEndsWith
3
public static final int
cTextExclusionTypeEquals
4
public static final int
cTextExclusionTypeRegEx
5
public static final int
cTextExclusionTypeStartsWith
2
public static final java.lang.String
cTextMultipleCategories
"<multiple categories>"
public static final java.lang.String
cViewConfigTagName
"view configuration"
public static final java.lang.String
cViewNameEnd
"</view>"
public static final java.lang.String
cViewNameStart
"<view name=\""
public static final java.lang.String
NEWLINE_REGEX
"\\r?\\n|\\r"
public static final java.lang.String
NEWLINE_STRING
"<NL>"
public static final java.lang.String
TAB_STRING
"<TAB>"
-
com.actelion.research.chem.io.DWARFileParser Modifier and Type Constant Field Value public static final int
MODE_BUFFER_HEAD_AND_TAIL
8
public static final int
MODE_COORDINATES_PREFER_2D
1
public static final int
MODE_COORDINATES_PREFER_3D
2
public static final int
MODE_COORDINATES_REQUIRE_2D
3
public static final int
MODE_COORDINATES_REQUIRE_3D
4
public static final int
MODE_EXTRACT_DETAILS
16
-
com.actelion.research.chem.io.Mol2FileParser Modifier and Type Constant Field Value public static final int
iAMPAC_CHARGES
7
public static final int
iDEL_RE
1
public static final int
iDICT_CHARGES
9
public static final int
iGAST_HUCK
3
public static final int
iGASTEIGER
2
public static final int
iGAUSS80_CHARGES
6
public static final int
iHUCKEL
4
public static final int
iMMFF94_CHARGES
10
public static final int
iMULLIKEN_CHARGES
8
public static final int
iNO_CHARGES
0
public static final int
iPULLMAN
5
public static final int
iUSER_CHARGES
11
-
com.actelion.research.chem.io.RDFileParser Modifier and Type Constant Field Value public static final java.lang.String
cNewLineString
"\n"
-
com.actelion.research.chem.io.RXNFileCreator Modifier and Type Constant Field Value public static final java.lang.String
RXN_CODE_TAG
"OCL_RXN_V1.0:"
-
com.actelion.research.chem.io.RXNFileV3Creator Modifier and Type Constant Field Value public static final java.lang.String
RXN_CODE_TAG
"OCL_RXN_V1.0:"
-
com.actelion.research.chem.io.SDFileParser Modifier and Type Constant Field Value public static final java.lang.String
cNewLineString
"\n"
-
com.actelion.research.chem.io.pdb.converter.AminoAcidsLabeledContainer Modifier and Type Constant Field Value public static final int
AMINO_ACIDS
20
-
com.actelion.research.chem.io.pdb.converter.ConstantsAminoAcidsLabeled Modifier and Type Constant Field Value public static final java.lang.String
RESOURCE_AAS_LABELED
"/resources/pdb/aminoAcidsLabeled.txt"
public static final java.lang.String
TAG_AAS_ABBR1
"Abbreviation1"
public static final java.lang.String
TAG_AAS_NAME
"Name"
-
com.actelion.research.chem.io.pdb.parser.PDBFileParser Modifier and Type Constant Field Value public static final java.lang.String
DATE_FORMAT
"dd-MMM-yy"
public static final java.lang.String
TAG_ANISOU
"ANISOU"
public static final java.lang.String
TAG_ATOM
"ATOM"
public static final java.lang.String
TAG_AUTHOR
"AUTHOR"
public static final java.lang.String
TAG_CAVEAT
"CAVEAT"
public static final java.lang.String
TAG_CISPEP
"CISPEP"
public static final java.lang.String
TAG_COMPND
"COMPND"
public static final java.lang.String
TAG_CONECT
"CONECT"
public static final java.lang.String
TAG_CRYST1
"CRYST1"
public static final java.lang.String
TAG_DBREF
"DBREF"
public static final java.lang.String
TAG_DBREF1_DBREF2
"DBREF1/DBREF2"
public static final java.lang.String
TAG_END
"END"
public static final java.lang.String
TAG_ENDMDL
"ENDMDL"
public static final java.lang.String
TAG_EXPDTA
"EXPDTA"
public static final java.lang.String
TAG_FORMUL
"FORMUL"
public static final java.lang.String
TAG_HEADER
"HEADER"
public static final java.lang.String
TAG_HELIX
"HELIX"
public static final java.lang.String
TAG_HET
"HET"
public static final java.lang.String
TAG_HETATM
"HETATM"
public static final java.lang.String
TAG_HETNAM
"HETNAM"
public static final java.lang.String
TAG_HETSYN
"HETSYN"
public static final java.lang.String
TAG_JRNL
"JRNL"
public static final java.lang.String
TAG_KEYWDS
"KEYWDS"
public static final java.lang.String
TAG_LINK
"LINK"
public static final java.lang.String
TAG_MASTER
"MASTER"
public static final java.lang.String
TAG_MDLTYP
"MDLTYP"
public static final java.lang.String
TAG_MODEL
"MODEL"
public static final java.lang.String
TAG_MODRES
"MODRES"
public static final java.lang.String
TAG_MTRIX1
"MTRIX1"
public static final java.lang.String
TAG_MTRIX2
"MTRIX2"
public static final java.lang.String
TAG_MTRIX3
"MTRIX3"
public static final java.lang.String
TAG_NUMMDL
"NUMMDL"
public static final java.lang.String
TAG_OBSOLTE
"OBSLTE"
public static final java.lang.String
TAG_ORIGX1
"ORIGX1"
public static final java.lang.String
TAG_ORIGX2
"ORIGX2"
public static final java.lang.String
TAG_ORIGX3
"ORIGX3"
public static final java.lang.String
TAG_REMARK
"REMARK"
public static final java.lang.String
TAG_REMARK_N
"REMARK N"
public static final java.lang.String
TAG_REMARK0
"REMARK 0"
public static final java.lang.String
TAG_REMARK1
"REMARK 1"
public static final java.lang.String
TAG_REMARK2
"REMARK 2"
public static final java.lang.String
TAG_REMARK3
"REMARK 3"
public static final java.lang.String
TAG_REVDAT
"REVDAT"
public static final java.lang.String
TAG_SCALE1
"SCALE1"
public static final java.lang.String
TAG_SCALE2
"SCALE2"
public static final java.lang.String
TAG_SCALE3
"SCALE3"
public static final java.lang.String
TAG_SEQADV
"SEQADV"
public static final java.lang.String
TAG_SEQRES
"SEQRES"
public static final java.lang.String
TAG_SHEET
"SHEET"
public static final java.lang.String
TAG_SITE
"SITE"
public static final java.lang.String
TAG_SOURCE
"SOURCE"
public static final java.lang.String
TAG_SPLIT
"SPLIT"
public static final java.lang.String
TAG_SPRSDE
"SPRSDE"
public static final java.lang.String
TAG_SSBOND
"SSBOND"
public static final java.lang.String
TAG_TER
"TER"
public static final java.lang.String
TAG_TITLE
"TITLE"
-
com.actelion.research.chem.io.pdb.parser.StructureAssembler Modifier and Type Constant Field Value public static final java.lang.String
LIGAND_GROUP
"ligand"
public static final java.lang.String
PROTEIN_GROUP
"protein"
public static final java.lang.String
SOLVENT_GROUP
"water"
-
com.actelion.research.chem.mcs.ExhaustiveFragmentGeneratorBonds Modifier and Type Constant Field Value public static final long
LIMIT_NEIGHBOURS_SINCE_LAST_ADDED
100000000L
-
com.actelion.research.chem.mcs.MCS Modifier and Type Constant Field Value public static final int
PAR_CLEAVE_RINGS
0
public static final int
PAR_KEEP_AROMATIC_RINGS
2
public static final int
PAR_KEEP_RINGS
1
-
com.actelion.research.chem.mcs.MCSFast Modifier and Type Constant Field Value public static final int
PAR_CLEAVE_RINGS
0
public static final int
PAR_KEEP_AROMATIC_RINGS
2
public static final int
PAR_KEEP_RINGS
1
-
com.actelion.research.chem.phesa.DescriptorHandlerShape Modifier and Type Constant Field Value public static final int
SIZE_CUTOFF
200
-
com.actelion.research.chem.phesa.Gaussian3D Modifier and Type Constant Field Value public static final double
DIST_CUTOFF
10.0
-
com.actelion.research.chem.phesa.MolecularVolume Modifier and Type Constant Field Value public static final double
alpha_pref
2.41798793102
public static final double
p
2.82842712475
-
com.actelion.research.chem.phesa.PheSAAlignment Modifier and Type Constant Field Value public static final double
TVERSKY_COEFFICIENT
0.95
-
com.actelion.research.chem.phesa.VolumeGaussian Modifier and Type Constant Field Value public static final int
EXCLUSION
-1
public static final int
INCLUSION
1
-
com.actelion.research.chem.phesa.pharmacophore.PharmacophoreCalculator Modifier and Type Constant Field Value public static final int
ACCEPTOR_ID
0
public static final int
AROM_ID
4
public static final int
AROM_RING_ID
6
public static final int
CHARGE_NEG_ID
2
public static final int
CHARGE_POS_ID
3
public static final int
DONOR_ID
1
public static final int
EXIT_VECTOR_ID
7
public static final int
LIPO_ID
5
public static final int
MAX_ID
7
-
com.actelion.research.chem.phesaflex.FlexibleShapeAlignment Modifier and Type Constant Field Value public static final double
ENERGY_CUTOFF
10.0
-
com.actelion.research.chem.prediction.CLogPPredictor Modifier and Type Constant Field Value public static final float
cCLogPUnknown
-999.0f
-
com.actelion.research.chem.prediction.DruglikenessPredictor Modifier and Type Constant Field Value public static final double
cDruglikenessUnknown
-999.0
-
com.actelion.research.chem.prediction.DruglikenessPredictorWithIndex Modifier and Type Constant Field Value public static final double
cDruglikenessUnknown
-999.0
-
com.actelion.research.chem.prediction.MolecularPropertyHelper Modifier and Type Constant Field Value public static final int
MOLECULAR_PROPERTY_ACIDIC_OXYGENS
14
public static final int
MOLECULAR_PROPERTY_AROMRINGCOUNT
12
public static final int
MOLECULAR_PROPERTY_BASIC_NITROGENS
13
public static final int
MOLECULAR_PROPERTY_CLOGP
1
public static final int
MOLECULAR_PROPERTY_CLOGS
2
public static final int
MOLECULAR_PROPERTY_COMPLEXITY
7
public static final int
MOLECULAR_PROPERTY_FLEXIBILITY
6
public static final int
MOLECULAR_PROPERTY_HACCEPTORS
5
public static final int
MOLECULAR_PROPERTY_HDONORS
4
public static final int
MOLECULAR_PROPERTY_MOLWEIGHT
0
public static final int
MOLECULAR_PROPERTY_ROTATABLEBONDS
9
public static final int
MOLECULAR_PROPERTY_SHAPE
8
public static final int
MOLECULAR_PROPERTY_SMALLRINGCOUNT
11
public static final int
MOLECULAR_PROPERTY_STEREOCENTERS
10
public static final int
MOLECULAR_PROPERTY_TPSA
3
-
com.actelion.research.chem.prediction.ParameterizedStringList Modifier and Type Constant Field Value public static final int
cStringTypeDouble
3
public static final int
cStringTypeIDCode
1
public static final int
cStringTypeText
2
-
com.actelion.research.chem.prediction.PolarSurfaceAreaPredictor Modifier and Type Constant Field Value public static final float
cPSAUnknown
-1.0f
-
com.actelion.research.chem.prediction.SolubilityPredictor Modifier and Type Constant Field Value public static final float
cSolubilityUnknown
-999.0f
-
com.actelion.research.chem.prediction.TotalSurfaceAreaPredictor Modifier and Type Constant Field Value public static final float
cPSAUnknown
-1.0f
-
com.actelion.research.chem.prediction.ToxicityPredictor Modifier and Type Constant Field Value public static final int
cHighRisk
3
public static final int
cLowRisk
2
public static final int
cNoRisk
1
public static final int
cRiskTypeIrritant
2
public static final int
cRiskTypeMutagenic
0
public static final int
cRiskTypeReproductiveEffective
3
public static final int
cRiskTypes
4
public static final int
cRiskTypeTumorigenic
1
public static final int
cUnknownRisk
0
-
com.actelion.research.chem.properties.complexity.BitArray128 Modifier and Type Constant Field Value public static final int
MAX_NUM_BITS
128
-
com.actelion.research.chem.properties.complexity.ExhaustiveFragmentsStatistics Modifier and Type Constant Field Value public static final int
MINLEN_FRAG
1
-
com.actelion.research.chem.properties.complexity.ModelExhaustiveStatistics Modifier and Type Constant Field Value public static final java.lang.String
TAG_ModelExhaustiveStatistics
"ModelExhaustiveStatistics"
-
com.actelion.research.chem.properties.complexity.MultipleNonOverlapSolution Modifier and Type Constant Field Value public static final java.lang.String
TAG_MultipleNonOverlapSolution
"MultipleNonOverlapSolution"
-
com.actelion.research.chem.properties.complexity.ObjectiveExhaustiveStatistics Modifier and Type Constant Field Value public static final double
ALMOST_ZERO
1.0E-6
public static final double
BASE_LOG
2.718281828459045
public static final int
DELTA_BONDS
1
public static final int
NUM_BONDS_START_REGRESSION_SMALL_MOLECULE
1
-
com.actelion.research.chem.properties.complexity.ResultFragmentsStatistic Modifier and Type Constant Field Value public static final java.lang.String
TAG_ResultFragmentsStatistic
"ResultFragmentsStatistic"
-
com.actelion.research.chem.properties.complexity.SummaryFragments Modifier and Type Constant Field Value public static final java.lang.String
TAG_COMPLEXITY
"Complexity"
public static final java.lang.String
TAG_MAXIMUM_SLOPE
"MaxSlope"
public static final java.lang.String
TAG_NUM_BONDS_AT_MAXIMUM_FREQ
"NumBondsAtMaxFreq"
public static final java.lang.String
TAG_NUM_BONDS_AT_MAXIMUM_SLOPE
"NumBondsAtMaxSlope"
public static final java.lang.String
TAG_RATIO_NON_SYMMETRIC_ATOMS
"RatioNonSymmetricAtoms"
public static final java.lang.String
TAG_RATIO_USED_BONDS_UP_TO_MAX_FREQ
"RatioUsedBondsUpToMaxFreq"
public static final java.lang.String
TAG_SUM_UNIQUE_FRAGMENTS_UNTIL_MAX
"SumUniqueFragmentsUntilMaxFrags"
-
com.actelion.research.chem.properties.fractaldimension.FractalDimensionMoleculeMain Modifier and Type Constant Field Value public static final java.lang.String
PREFIX_OUTPUT
"fractalDimensionMoleculeResult"
-
com.actelion.research.chem.properties.fractaldimension.ResultFracDimCalc Modifier and Type Constant Field Value public static final java.lang.String
SEP
"\t"
public static final java.lang.String
TAG_BONDS_AT_MAX_FRAGS_CALC
"BondNumberAtMaxNumFragCalculated"
public static final java.lang.String
TAG_FRACTAL_DIM
"FractalDimension"
public static final java.lang.String
TAG_ID
"MoleculeId"
public static final java.lang.String
TAG_MAX_NUM_UNIQUE_FRAGMENTS_CALC
"MaxNumUniqueFragmentsCalculated"
public static final java.lang.String
TAG_MESSAGE
"Message"
public static final java.lang.String
TAG_SMILES
"SMILES"
public static final java.lang.String
TAG_SUM_UNIQUE_FRAGMENTS_CALC
"SumUniqueFragmentsCalculated"
-
com.actelion.research.chem.reaction.Classification Modifier and Type Constant Field Value public static final int
INDEXLEN
4
public static final int
MAXENDUR
10
public static final int
MAXFLASH
10
public static final int
MAXINDICES
8
public static final int
MAXUNITS
16
-
com.actelion.research.chem.reaction.ReactionArrow Modifier and Type Constant Field Value public static final java.lang.String
TYPE_STRING
"arrow"
-
com.actelion.research.chem.reaction.ReactionClassifier Modifier and Type Constant Field Value public static final int
cError2AlphasInSameStrand
20
public static final int
cErrorCCBondCleavageLimit
15
public static final int
cErrorCCBondCreationLimit
16
public static final int
cErrorComplexReaction
17
public static final int
cErrorCRClassifyError
22
public static final int
cErrorDRClassifyError
23
public static final int
cErrorDupProdMapNoDifEd
7
public static final int
cErrorEductMapNoOverused
2
public static final int
cErrorEduFragPartMapped
10
public static final int
cErrorForkedOrLongStrand
19
public static final int
cErrorFragmentAtomLimit
11
public static final int
cErrorHRClassifyError
21
public static final int
cErrorIncoOrLeavMissing
26
public static final int
cErrorMapNoNotInEduct
6
public static final int
cErrorMapNoNotInProduct
5
public static final int
cErrorNoChangeNorEFG
1
public static final int
cErrorNoChangingAtoms
18
public static final int
cErrorNoDatabaseReaction
28
public static final int
cErrorNoError
0
public static final int
cErrorProdFragPartMapped
12
public static final int
cErrorProdMapNoOverused1
3
public static final int
cErrorProdMapNoOverused2
4
public static final int
cErrorProdRemapFailed
9
public static final int
cErrorRAClassifyError
24
public static final int
cErrorREClassifyError
25
public static final int
cErrorUnexpected
13
public static final int
cErrorUnitReactionLimit
27
public static final int
cErrorUnMappedCInConOrFr
14
public static final int
cIndexFullPermutation
2
public static final int
cIndexNone
0
public static final int
cIndexOnePermToFile
1
-
com.actelion.research.chem.reaction.ReactionEncoder Modifier and Type Constant Field Value public static final char
CATALYST_DELIMITER
43
public static final int
INCLUDE_ALL
15
public static final int
INCLUDE_CATALYSTS
8
public static final int
INCLUDE_COORDS
2
public static final int
INCLUDE_DEFAULT
3
public static final int
INCLUDE_DRAWING_OBJECTS
4
public static final int
INCLUDE_MAPPING
1
public static final int
INCLUDE_RXN_CODE_ONLY
0
public static final char
MOLECULE_DELIMITER
32
public static final java.lang.String
MOLECULE_DELIMITER_STRING
" "
public static final char
OBJECT_DELIMITER
35
public static final java.lang.String
OBJECT_DELIMITER_STRING
"#"
public static final char
PRODUCT_IDENTIFIER
33
public static final int
RETAIN_REACTANT_AND_PRODUCT_ORDER
16
-
com.actelion.research.chem.reaction.ReactionSearchDataSource Modifier and Type Constant Field Value public static final long
SEARCH_TYPE_NOT_SUPPORTED
-1L
-
com.actelion.research.chem.reaction.ReactionSearchSpecification Modifier and Type Constant Field Value public static final int
TYPE_EXACT_NO_STEREO
5
public static final int
TYPE_EXACT_STRICT
4
public static final int
TYPE_NO_REACTION
0
public static final int
TYPE_RETRON
3
public static final int
TYPE_SIMILARITY
2
public static final int
TYPE_SUBREACTION
1
-
com.actelion.research.chem.reaction.Reactor Modifier and Type Constant Field Value public static final int
MODE_ALLOW_CHARGE_CORRECTIONS
8
public static final int
MODE_FULLY_MAP_REACTIONS
2
public static final int
MODE_REMOVE_DUPLICATE_PRODUCTS
4
public static final int
MODE_RETAIN_COORDINATES
1
-
com.actelion.research.chem.reaction.mapping.SimilarityGraphBasedReactionMapper Modifier and Type Constant Field Value public static final boolean
DEBUG
false
-
com.actelion.research.chem.shredder.Fragment Modifier and Type Constant Field Value public static final java.lang.String
TAG_FREQUENCY
"FrequencySumAll"
public static final java.lang.String
TAG_FREQUENCY_ONE_PER_MOLECULE
"FrequencyOnePerMolecule"
public static final java.lang.String
TAG_RELATIVE_FREQUNCY
"Relative frequencySumAll"
public static final java.lang.String
TAG_SIZE
"Size fragment"
-
com.actelion.research.gui.CompoundCollectionPane<T> Modifier and Type Constant Field Value public static final int
FILE_SUPPORT_NONE
0
public static final int
FILE_SUPPORT_OPEN_AND_SAVE_FILES
3
public static final int
FILE_SUPPORT_OPEN_FILES
1
public static final int
FILE_SUPPORT_SAVE_FILES
2
-
com.actelion.research.gui.JAtomLabelDialog Modifier and Type Constant Field Value public static final long
serialVersionUID
537395731L
-
com.actelion.research.gui.JChemistryView Modifier and Type Constant Field Value public static final int
PASTE_AND_DROP_OPTION_ALLOW_FRAGMENT_STATE_CHANGE
1
public static final int
PASTE_AND_DROP_OPTION_KEEP_ATOM_COLORS
2
public static final int
PASTE_AND_DROP_OPTION_KEEP_BOND_HIGHLIGHTING
4
public static final int
PASTE_AND_DROP_OPTION_LAYOUT_REACTION
32
public static final int
PASTE_AND_DROP_OPTION_REMOVE_CATALYSTS
8
public static final int
PASTE_AND_DROP_OPTION_REMOVE_DRAWING_OBJECTS
16
-
com.actelion.research.gui.JDrawArea Modifier and Type Constant Field Value public static final int
MODE_DRAWING_OBJECTS
8
public static final int
MODE_MARKUSH_STRUCTURE
2
public static final int
MODE_MULTIPLE_FRAGMENTS
1
public static final int
MODE_REACTION
4
protected static final int
UPDATE_CHECK_COORDS
3
protected static final int
UPDATE_CHECK_VIEW
2
protected static final int
UPDATE_INVENT_COORDS
6
protected static final int
UPDATE_NONE
0
protected static final int
UPDATE_REDRAW
1
protected static final int
UPDATE_SCALE_COORDS
4
protected static final int
UPDATE_SCALE_COORDS_USE_FRAGMENTS
5
-
com.actelion.research.gui.JDrawToolbar Modifier and Type Constant Field Value protected static final int
cButtonCleanStructure
1
protected static final int
cButtonClear
0
protected static final int
cButtonsPerColumn
17
protected static final int
cButtonUndo
17
protected static final int
cESRMenuBorder
4
protected static final int
cTool3Ring
7
protected static final int
cTool4Ring
24
protected static final int
cTool5Ring
8
protected static final int
cTool6Ring
25
protected static final int
cTool7Ring
9
protected static final int
cToolAromRing
26
protected static final int
cToolAtomBr
15
protected static final int
cToolAtomC
11
protected static final int
cToolAtomCl
31
protected static final int
cToolAtomF
14
protected static final int
cToolAtomH
16
protected static final int
cToolAtomI
32
protected static final int
cToolAtomN
12
protected static final int
cToolAtomO
13
protected static final int
cToolAtomOther
33
protected static final int
cToolAtomP
29
protected static final int
cToolAtomS
30
protected static final int
cToolAtomSi
28
protected static final int
cToolChain
22
protected static final int
cToolDelete
4
protected static final int
cToolDownBond
23
protected static final int
cToolESR
20
protected static final int
cToolESRAbs
101
protected static final int
cToolESRAnd
103
protected static final int
cToolESROr
102
public static final int
cToolLassoPointer
2
protected static final int
cToolMapper
19
protected static final int
cToolNegCharge
27
protected static final int
cToolPosCharge
10
protected static final int
cToolStdBond
5
protected static final int
cToolText
21
protected static final int
cToolUnknownParity
3
protected static final int
cToolUpBond
6
protected static final int
cToolZoom
18
-
com.actelion.research.gui.JImagePanel Modifier and Type Constant Field Value public static final java.lang.String
cDefaultImageExtension
".jpg"
public static final java.lang.String
cThumbNailExtension
"_s"
-
com.actelion.research.gui.JLoginDialog Modifier and Type Constant Field Value public static final java.lang.String
cLoginCancel
"loginCancel"
public static final java.lang.String
cLoginOK
"loginOK"
public static final java.lang.String
PREFERENCES_KEY_USERID
"databaseUserID"
-
com.actelion.research.gui.JMultiPanelView Modifier and Type Constant Field Value public static final java.lang.String
VIEW_HEIGHT
"height"
-
com.actelion.research.gui.PruningBarEvent Modifier and Type Constant Field Value public static final int
TYPE_DRAGGED
1
public static final int
TYPE_TYPED
2
-
com.actelion.research.gui.VerticalFlowLayout Modifier and Type Constant Field Value public static final int
BOTTOM
2
public static final int
CENTER
1
public static final int
LEFT
3
public static final int
RIGHT
4
public static final int
TOP
0
-
com.actelion.research.gui.clipboard.NativeClipboardAccessor Modifier and Type Constant Field Value public static final java.lang.String
NC_ALDUSMETAFILE
"ALDUS_METAFILE"
public static final java.lang.String
NC_BITMAP
"CF_BITMAP"
public static final java.lang.String
NC_CHEMDRAWINTERCHANGE
"ChemDraw Interchange Format"
public static final java.lang.String
NC_CTAB
"MDLCT"
public static final java.lang.String
NC_DIB
"CF_DIB"
public static final java.lang.String
NC_EMBEDDEDSKETCH
"MDLSK_EMBEDDED"
public static final java.lang.String
NC_IDCODE
"IDCODE"
public static final java.lang.String
NC_METAFILE
"CF_METAFILEPICT"
public static final java.lang.String
NC_MOLFILE
"MDL_MOL"
public static final java.lang.String
NC_SERIALIZEMOLECULE
"ACT_MOLECULE"
public static final java.lang.String
NC_SERIALIZEREACTION
"ACT_REACTION"
public static final java.lang.String
NC_SKETCH
"MDLSK"
-
com.actelion.research.gui.clipboard.external.ChemDrawCDX Modifier and Type Constant Field Value public static final int
kCDXObj_Bond
32773
public static final int
kCDXObj_Fragment
32771
public static final int
kCDXObj_Group
32770
public static final int
kCDXObj_Node
32772
public static final int
kCDXObj_Page
32769
-
com.actelion.research.gui.dnd.MoleculeDropAdapter Modifier and Type Constant Field Value public static final boolean
debug
false
-
com.actelion.research.gui.dnd.ReactionDropAdapter Modifier and Type Constant Field Value public static final boolean
debug
false
-
com.actelion.research.gui.dock.JDockingPanel Modifier and Type Constant Field Value public static final int
ALLOWED_DRAG_DROP_ACTIONS
2
public static final int
DOCK_BOTTOM
3
public static final int
DOCK_CENTER
0
public static final int
DOCK_LEFT
2
public static final int
DOCK_RIGHT
4
public static final int
DOCK_TOP
1
-
com.actelion.research.gui.editor.AtomLabelDialogBuilder Modifier and Type Constant Field Value public static final long
serialVersionUID
537395731L
-
com.actelion.research.gui.editor.DialogEvent Modifier and Type Constant Field Value public static final int
WHAT_CANCEL
1
public static final int
WHAT_ITEM_SELECTED
2
public static final int
WHAT_OK
0
public static final int
WHAT_STATE_TOGGLED
3
-
com.actelion.research.gui.editor.DrawAreaEvent Modifier and Type Constant Field Value public static final int
TYPE_HILITE_ATOM_CHANGED
3
public static final int
TYPE_HILITE_BOND_CHANGED
4
public static final int
TYPE_MOLECULE_CHANGED
1
public static final int
TYPE_SELECTION_CHANGED
2
-
com.actelion.research.gui.editor.GenericDrawArea Modifier and Type Constant Field Value public static final int
MODE_DRAWING_OBJECTS
8
public static final int
MODE_MARKUSH_STRUCTURE
2
public static final int
MODE_MULTIPLE_FRAGMENTS
1
public static final int
MODE_REACTION
4
protected static final int
UPDATE_CHECK_COORDS
3
protected static final int
UPDATE_CHECK_VIEW
2
protected static final int
UPDATE_INVENT_COORDS
6
protected static final int
UPDATE_NONE
0
protected static final int
UPDATE_REDRAW
1
protected static final int
UPDATE_SCALE_COORDS
4
protected static final int
UPDATE_SCALE_COORDS_USE_FRAGMENTS
5
-
com.actelion.research.gui.editor.GenericEditorToolbar Modifier and Type Constant Field Value protected static final int
cButtonCleanStructure
1
protected static final int
cButtonClear
0
protected static final int
cButtonsPerColumn
17
protected static final int
cButtonUndo
17
protected static final int
cESRMenuBorder
4
protected static final int
cTool3Ring
7
protected static final int
cTool4Ring
24
protected static final int
cTool5Ring
8
protected static final int
cTool6Ring
25
protected static final int
cTool7Ring
9
protected static final int
cToolAromRing
26
protected static final int
cToolAtomBr
15
protected static final int
cToolAtomC
11
protected static final int
cToolAtomCl
31
protected static final int
cToolAtomF
14
protected static final int
cToolAtomH
16
protected static final int
cToolAtomI
32
protected static final int
cToolAtomN
12
protected static final int
cToolAtomO
13
protected static final int
cToolAtomOther
33
protected static final int
cToolAtomP
29
protected static final int
cToolAtomS
30
protected static final int
cToolAtomSi
28
protected static final int
cToolChain
22
protected static final int
cToolDelete
4
protected static final int
cToolDownBond
23
protected static final int
cToolESR
20
protected static final int
cToolESRAbs
101
protected static final int
cToolESRAnd
103
protected static final int
cToolESROr
102
public static final int
cToolLassoPointer
2
protected static final int
cToolMapper
19
protected static final int
cToolNegCharge
27
protected static final int
cToolPosCharge
10
protected static final int
cToolStdBond
5
protected static final int
cToolText
21
protected static final int
cToolUnknownParity
3
protected static final int
cToolUpBond
6
protected static final int
cToolZoom
18
-
com.actelion.research.gui.generic.GenericDialog Modifier and Type Constant Field Value public static final int
FILL
-1
public static final int
PREFERRED
-2
-
com.actelion.research.gui.generic.GenericKeyEvent Modifier and Type Constant Field Value public static final int
KEY_PRESSED
1
public static final int
KEY_RELEASED
2
public static final int
KEY_TYPED
3
-
com.actelion.research.gui.generic.GenericMouseEvent Modifier and Type Constant Field Value public static final int
MOUSE_CLICKED
3
public static final int
MOUSE_DRAGGED
7
public static final int
MOUSE_ENTERED
4
public static final int
MOUSE_EXITED
5
public static final int
MOUSE_MOVED
6
public static final int
MOUSE_PRESSED
1
public static final int
MOUSE_RELEASED
2
-
com.actelion.research.gui.hidpi.ColorUtils Modifier and Type Constant Field Value public static final java.lang.String
BLACK
"#000000"
-
com.actelion.research.gui.wmf.WMF Modifier and Type Constant Field Value public static final int
MFCOMMENT
15
-
com.actelion.research.gui.wmf.WMFConstants Modifier and Type Constant Field Value public static final int
ALTERNATE
1
public static final byte
ANSI_CHARSET
0
public static final int
BLACKNESS
66
public static final int
BS_DIBPATTERN
5
public static final int
BS_HATCHED
2
public static final int
BS_HOLLOW
1
public static final int
BS_NULL
1
public static final int
BS_PATTERN
3
public static final int
BS_SOLID
0
public static final byte
CLIP_CHARACTER_PRECIS
1
public static final byte
CLIP_DEFAULT_PRECIS
0
public static final byte
CLIP_LH_ANGLES
16
public static final byte
CLIP_MASK
15
public static final byte
CLIP_STROKE_PRECIS
2
public static final byte
CLIP_TT_ALWAYS
32
public static final byte
DEFAULT_CHARSET
1
public static final byte
DEFAULT_PITCH
0
public static final byte
DEFAULT_QUALITY
0
public static final int
DIB_PAL_COLORS
1
public static final int
DIB_RGB_COLORS
0
public static final byte
DRAFT_QUALITY
1
public static final int
DSTINVERT
5570569
public static final int
ETO_CLIPPED
4
public static final int
ETO_GRAYED
1
public static final int
ETO_OPAQUE
2
public static final byte
FF_DECORATIVE
80
public static final byte
FF_DONTCARE
0
public static final byte
FF_MODERN
48
public static final byte
FF_ROMAN
16
public static final byte
FF_SCRIPT
64
public static final byte
FF_SWISS
32
public static final byte
FIXED_PITCH
1
public static final int
FW_BLACK
900
public static final int
FW_BOLD
700
public static final int
FW_DONTCARE
100
public static final int
FW_NORMAL
400
public static final int
FW_THIN
100
public static final int
HS_BDIAGONAL
3
public static final int
HS_CROSS
4
public static final int
HS_DIAGCROSS
5
public static final int
HS_FDIAGONAL
2
public static final int
HS_HORIZONTAL
0
public static final int
HS_VERTICAL
1
public static final int
MERGEPAINT
12255782
public static final int
META_ALDUS_APM
-1698247209
public static final int
META_ANIMATEPALETTE
1078
public static final int
META_ARC
2071
public static final int
META_BITBLT
2338
public static final int
META_CHORD
2096
public static final int
META_CREATEBITMAP
1790
public static final int
META_CREATEBITMAPINDIRECT
765
public static final int
META_CREATEBRUSH
248
public static final int
META_CREATEBRUSHINDIRECT
764
public static final int
META_CREATEFONTINDIRECT
763
public static final int
META_CREATEPALETTE
247
public static final int
META_CREATEPATTERNBRUSH
505
public static final int
META_CREATEPENINDIRECT
762
public static final int
META_CREATEREGION
1791
public static final int
META_DELETEOBJECT
496
public static final int
META_DIBBITBLT
2368
public static final int
META_DIBCREATEPATTERNBRUSH
322
public static final int
META_DIBSTRETCHBLT
2881
public static final int
META_DRAWTEXT
1583
public static final int
META_ELLIPSE
1048
public static final int
META_ESCAPE
1574
public static final int
META_EXCLUDECLIPRECT
1045
public static final int
META_EXTFLOODFILL
1352
public static final int
META_EXTTEXTOUT
2610
public static final int
META_FILLREGION
552
public static final int
META_FLOODFILL
1049
public static final int
META_FRAMEREGION
1065
public static final int
META_INTERSECTCLIPRECT
1046
public static final int
META_INVERTREGION
298
public static final int
META_LINETO
531
public static final int
META_MOVETO
532
public static final int
META_OBJ_ANSI_FIXED_FONT
11
public static final int
META_OBJ_ANSI_VAR_FONT
12
public static final int
META_OBJ_BLACK_BRUSH
4
public static final int
META_OBJ_BLACK_PEN
7
public static final int
META_OBJ_DEFAULT_PALETTE
15
public static final int
META_OBJ_DEVICE_DEFAULT_FONT
14
public static final int
META_OBJ_DKGRAY_BRUSH
3
public static final int
META_OBJ_GRAY_BRUSH
2
public static final int
META_OBJ_HOLLOW_BRUSH
5
public static final int
META_OBJ_LTGRAY_BRUSH
1
public static final int
META_OBJ_NULL_BRUSH
5
public static final int
META_OBJ_NULL_PEN
8
public static final int
META_OBJ_OEM_FIXED_FONT
10
public static final int
META_OBJ_SYSTEM_FIXED_FONT
16
public static final int
META_OBJ_SYSTEM_FONT
13
public static final int
META_OBJ_WHITE_BRUSH
0
public static final int
META_OBJ_WHITE_PEN
6
public static final int
META_OFFSETCLIPRGN
544
public static final int
META_OFFSETVIEWPORTORG
529
public static final int
META_OFFSETWINDOWORG
527
public static final int
META_PAINTREGION
299
public static final int
META_PATBLT
1565
public static final int
META_PIE
2074
public static final int
META_POLYBEZIER16
4096
public static final int
META_POLYGON
804
public static final int
META_POLYLINE
805
public static final int
META_POLYPOLYGON
1336
public static final int
META_REALIZEPALETTE
53
public static final int
META_RECTANGLE
1051
public static final int
META_RESIZEPALETTE
313
public static final int
META_RESTOREDC
295
public static final int
META_ROUNDRECT
1564
public static final int
META_SAVEDC
30
public static final int
META_SCALEVIEWPORTEXT
1042
public static final int
META_SCALEWINDOWEXT
1040
public static final int
META_SELECTCLIPREGION
300
public static final int
META_SELECTOBJECT
301
public static final int
META_SELECTPALETTE
564
public static final int
META_SETBKCOLOR
513
public static final int
META_SETBKMODE
258
public static final int
META_SETDIBTODEV
3379
public static final int
META_SETMAPMODE
259
public static final int
META_SETMAPPERFLAGS
561
public static final int
META_SETPALENTRIES
55
public static final int
META_SETPIXEL
1055
public static final int
META_SETPOLYFILLMODE
262
public static final int
META_SETRELABS
261
public static final int
META_SETROP2
260
public static final int
META_SETSTRETCHBLTMODE
263
public static final int
META_SETTEXTALIGN
302
public static final int
META_SETTEXTCHAREXTRA
264
public static final int
META_SETTEXTCOLOR
521
public static final int
META_SETTEXTJUSTIFICATION
522
public static final int
META_SETVIEWPORTEXT
526
public static final int
META_SETVIEWPORTORG
525
public static final int
META_SETWINDOWEXT
524
public static final int
META_SETWINDOWORG
523
public static final int
META_STRETCHBLT
2851
public static final int
META_STRETCHDIB
3907
public static final int
META_TEXTOUT
1313
public static final int
MFCOMMENT
15
public static final int
MM_ANISOTROPIC
8
public static final int
MM_HIENGLISH
5
public static final int
MM_HIMETRIC
3
public static final int
MM_HITWIPS
6
public static final int
MM_ISOTROPIC
7
public static final int
MM_LOENGLISH
4
public static final int
MM_LOMETRIC
2
public static final int
MM_TEXT
1
public static final int
NOTSRCCOPY
3342344
public static final int
NOTSRCERASE
1114278
public static final byte
OEM_CHARSET
-1
public static final int
OPAQUE
2
public static final byte
OUT_CHARACTER_PRECIS
2
public static final byte
OUT_DEFAULT_PRECIS
0
public static final byte
OUT_DEVICE_PRECIS
5
public static final byte
OUT_RASTER_PRECIS
6
public static final byte
OUT_STRING_PRECIS
1
public static final byte
OUT_STROKE_PRECIS
3
public static final byte
OUT_TT_PRECIS
4
public static final int
PATCOPY
15728673
public static final int
PATINVERT
5898313
public static final int
PATPAINT
16452105
public static final byte
PROOF_QUALITY
2
public static final int
PS_DASH
1
public static final int
PS_DASHDOT
3
public static final int
PS_DASHDOTDOT
4
public static final int
PS_DOT
2
public static final int
PS_INSIDEFRAME
6
public static final int
PS_NULL
5
public static final int
PS_SOLID
0
public static final int
R2_BLACK
1
public static final int
R2_COPYPEN
13
public static final int
R2_MASKNOTPENNOT
3
public static final int
R2_MASKPEN
9
public static final int
R2_MASKPENNOT
5
public static final int
R2_MERGENOTPEN
12
public static final int
R2_MERGEPEN
15
public static final int
R2_MERGEPENNOT
14
public static final int
R2_NOP
11
public static final int
R2_NOT
6
public static final int
R2_NOTCOPYPEN
4
public static final int
R2_NOTMASKPEN
8
public static final int
R2_NOTMERGEPEN
2
public static final int
R2_NOTXORPEN
10
public static final int
R2_WHITE
16
public static final int
R2_XORPEN
7
public static final byte
SHIFTJIS_CHARSET
-128
public static final int
SRCAND
8913094
public static final int
SRCCOPY
13369376
public static final int
SRCERASE
4457256
public static final int
SRCINVERT
6684742
public static final int
SRCPAINT
15597702
public static final int
STRETCH_ANDSCANS
1
public static final int
STRETCH_DELETESCANS
3
public static final int
STRETCH_ORSCANS
2
public static final byte
SYMBOL_CHARSET
2
public static final int
TA_BASELINE
24
public static final int
TA_BOTTOM
8
public static final int
TA_CENTER
6
public static final int
TA_LEFT
0
public static final int
TA_NOUPDATECP
0
public static final int
TA_RIGHT
2
public static final int
TA_TOP
0
public static final int
TA_UPDATECP
1
public static final int
TRANSPARENT
1
public static final byte
VARIABLE_PITCH
2
public static final int
WHITENESS
16711778
public static final int
WINDING
2
-
com.actelion.research.gui.wmf.WMFGraphics Modifier and Type Constant Field Value public static final int
MM_ANISOTROPIC
8
public static final int
SRC_AND
8913094
public static final int
SRC_COPY
13369376
public static final int
SRC_PAINT
15597702
-
com.actelion.research.jfx.gui.chem.MoleculeViewSkin Modifier and Type Constant Field Value public static final int
DEFAULT_IMAGE_HEIGHT
200
public static final int
DEFAULT_IMAGE_WIDTH
200
-
com.actelion.research.share.gui.editor.Model Modifier and Type Constant Field Value public static final int
FAKE_ATOM_NO
100
public static final int
KEY_IS_ATOM_LABEL
1
public static final int
KEY_IS_INVALID
4
public static final int
KEY_IS_SUBSTITUENT
2
public static final int
KEY_IS_VALID_START
3
public static final int
MAX_CONNATOMS
8
public static final int
MAX_UNDO_SIZE
5
public static final int
MIN_BOND_LENGTH_SQUARE
100
public static final int
MODE_DRAWING_OBJECTS
8
public static final int
MODE_MARKUSH_STRUCTURE
2
public static final int
MODE_MULTIPLE_FRAGMENTS
1
public static final int
MODE_REACTION
4
-
com.actelion.research.share.gui.editor.actions.DrawAction Modifier and Type Constant Field Value public static final double
HIGHLIGHT_ATOM_RADIUS
5.0
public static final int
KEYSTROKEFONTSIZE
24
public static final int
MAX_CONNATOMS
8
public static final java.lang.String
UNKNOWN
"<unknown>"
-
com.actelion.research.share.gui.editor.geom.IColor Modifier and Type Constant Field Value public static final long
BLACK
255L
public static final long
BLUE
65535L
public static final long
GRAY
2863311615L
public static final long
GREEN
16711935L
public static final long
RED
68451041535L
public static final long
TRANSPARENT
0L
public static final long
WHITE
4294967295L
-
com.actelion.research.share.gui.editor.geom.ICursor Modifier and Type Constant Field Value public static final int
CROSSHAIR
1
public static final int
DEFAULT
0
public static final int
MAX_DEFAULT_CURSOR
13
public static final int
SE_RESIZE
4
public static final int
TOOL_CHAINCURSOR
45
public static final int
TOOL_CTEXTCURSOR
2
public static final int
TOOL_CURSOR_BASE
45
public static final int
TOOL_DELETECURSOR
46
public static final int
TOOL_FISTCURSOR
49
public static final int
TOOL_HANDCURSOR
47
public static final int
TOOL_HANDPLUSCURSOR
48
public static final int
TOOL_LASSOCURSOR
50
public static final int
TOOL_LASSOPLUSCURSOR
51
public static final int
TOOL_POINTERCURSOR
0
public static final int
TOOL_SELECTRECTCURSOR
52
public static final int
TOOL_SELECTRECTPLUSCURSOR
53
public static final int
TOOL_ZOOMCURSOR
54
-
com.actelion.research.util.Angle Modifier and Type Constant Field Value public final double
TWO_PI
6.283185307179586
-
com.actelion.research.util.AnimatedGIFWriter Modifier and Type Constant Field Value public static final byte
APPLICATION_EXTENSION_LABEL
-1
public static final byte
COMMENT_EXTENSION_LABEL
-2
public static final byte
EXTENSION_INTRODUCER
33
public static final byte
GRAPHIC_CONTROL_LABEL
-7
public static final byte
IMAGE_SEPARATOR
44
public static final byte
IMAGE_TRAILER
59
public static final byte
TEXT_EXTENSION_LABEL
1
-
com.actelion.research.util.AnimatedGIFWriter.GIFFrame Modifier and Type Constant Field Value public static final int
DISPOSAL_LEAVE_AS_IS
1
public static final int
DISPOSAL_RESTORE_TO_BACKGROUND
2
public static final int
DISPOSAL_RESTORE_TO_PREVIOUS
3
public static final int
DISPOSAL_TO_BE_DEFINED
7
public static final int
DISPOSAL_UNSPECIFIED
0
public static final int
TRANSPARENCY_COLOR_NONE
-1
public static final int
TRANSPARENCY_INDEX_NONE
0
public static final int
TRANSPARENCY_INDEX_SET
1
public static final int
USER_INPUT_EXPECTED
1
public static final int
USER_INPUT_NONE
0
-
com.actelion.research.util.Base64 Modifier and Type Constant Field Value public static final int
DECODE
0
public static final int
DO_BREAK_LINES
8
public static final int
DONT_GUNZIP
4
public static final int
ENCODE
1
public static final int
GZIP
2
public static final int
NO_OPTIONS
0
public static final int
ORDERED
32
public static final int
URL_SAFE
16
-
com.actelion.research.util.BitUtils Modifier and Type Constant Field Value public static final long
MASK_FIRST_SHORT
65535L
public static final long
MASK_FOURTH_SHORT
-281474976710656L
public static final long
MASK_SEC_SHORT
4294901760L
public static final long
MASK_THIRD_SHORT
281470681743360L
-
com.actelion.research.util.CommandLineParser Modifier and Type Constant Field Value public static final java.lang.String
HELP
"-h"
public static final java.lang.String
SEP_TAG
";"
-
com.actelion.research.util.ConstantsDWAR Modifier and Type Constant Field Value public static final int
ATOM_LABEL_R1
142
public static final int
ATOM_LABEL_R2
143
public static final int
ATOM_LABEL_R3
144
public static final java.lang.String
ATTR_NO
"N"
public static final java.lang.String
ATTR_YES
"Y"
public static final java.lang.String
CHARSET_ENCODING
"UTF8"
public static final java.lang.String
DWAQ_EXTENSION
".dwaq"
public static final java.lang.String
DWAR_EXTENSION
".dwar"
public static final java.lang.String
IDCODE_EMPTY
"dH"
public static final java.lang.String
ODE_EXTENSION
".ode"
public static final java.lang.String
PACKAGE_DATAWARRIOR_IDORSIA
"com.actelion.research.datawarrior.DataWarriorActelionLinux"
public static final java.lang.String
PATTERN_NF_DWAR
"0.000############"
public static final java.lang.String
PATTERN_NF_DWAR4
"0.0000"
public static final java.lang.String
PLATFORM_NAME_DATAWARRIOR
"datawarrior"
public static final java.lang.String
REGEX_FILE_EXTENSION
"(.*\\.ode)|(.*\\.dwar)"
public static final java.lang.String
SDF_EXTENSION
".sdf"
public static final java.lang.String
SEP_LINE
"<NL>"
public static final java.lang.String
SEP_VALUE
"; "
public static final java.lang.String
TAG_ACTNO
"Idorsia No"
public static final java.lang.String
TAG_ATOMS
"Atoms"
public static final java.lang.String
TAG_BONDS
"Bonds"
public static final java.lang.String
TAG_CONFORMERSET
"conformerSet"
public static final java.lang.String
TAG_COOR
"idcoordinates"
public static final java.lang.String
TAG_COOR2
"idcoordinates2D"
public static final java.lang.String
TAG_COOR3D
"idcoordinates3D"
public static final java.lang.String
TAG_ID_QUERY
"Id Query"
public static final java.lang.String
TAG_IDCODE
"idcode"
public static final java.lang.String
TAG_IDCODE2
"Structure"
public static final java.lang.String
TAG_LIGAND_EFFICIENCY
"LE"
public static final java.lang.String
TAG_MW
"Total Molweight"
public static final java.lang.String
TAG_NAME
"Name"
public static final java.lang.String
TAG_QUERY_IDENTIFIER
"QueryIdentifier"
public static final java.lang.String
TAG_REACTION_CODE
"ReactionCode"
public static final java.lang.String
TAG_REACTION_COORD
"ReactionCoordinates"
public static final java.lang.String
TAG_REACTION_DRAW_OBJ
"ReactionDrawingObjects"
public static final java.lang.String
TAG_REACTION_MAPPING
"ReactionMapping"
public static final java.lang.String
TAG_RECORD_NO
"Record No"
public static final java.lang.String
TAG_SOURCE
"Source"
public static final java.lang.String
TAG_STRUCTURE_EXCLUDE
"Exclude"
public static final java.lang.String
TAG_STRUCTURE_INCLUDE
"Include"
-
com.actelion.research.util.CursorHelper Modifier and Type Constant Field Value public static final int
cChainCursor
0
public static final int
cDeleteCursor
1
public static final int
cFistCursor
4
public static final int
cHandCursor
2
public static final int
cHandPlusCursor
3
public static final int
cInvisibleCursor
10
public static final int
cLassoCursor
5
public static final int
cLassoPlusCursor
6
public static final int
cPointedHandCursor
13
public static final int
cPointerCursor
11
public static final int
cSelectRectCursor
7
public static final int
cSelectRectPlusCursor
8
public static final int
cTextCursor
12
public static final int
cZoomCursor
9
-
com.actelion.research.util.DoubleVec Modifier and Type Constant Field Value public static final int
COSINE
1
public static final int
EUCLIDEAN
2
public static final int
EUCLIDEAN_FAST
3
public static final int
TANIMOTO
4
public static final int
TANIMOTO_INV
5
-
com.actelion.research.util.Sketch Modifier and Type Constant Field Value public static final byte
$3D_atom_query
77
public static final byte
$3D_basis_objs
68
public static final byte
$3D_dihed_chiral
74
public static final byte
$3D_exclus_dradius
-22
public static final byte
$3D_exclus_ignore
83
public static final byte
$3D_exclus_radius
75
public static final byte
$3D_marker_rf
-29
public static final byte
$3D_maxval
71
public static final byte
$3D_minval
70
public static final byte
$3D_name
69
public static final byte
$3D_num_basis_objs
67
public static final byte
$3D_point_ddist
-20
public static final byte
$3D_point_dir
76
public static final byte
$3D_point_dist
73
public static final byte
$3D_tolerance
72
public static final byte
$Abbrev_atch
60
public static final byte
$Arc_endpts
16
public static final byte
$ArrowDir
56
public static final byte
$ArrowShaftSp
-26
public static final byte
$ArrowSize
-27
public static final byte
$ArrowStyle
57
public static final byte
$ArrowType
-36
public static final byte
$Atom_aamap_num
96
public static final byte
$Atom_aamapped
63
public static final byte
$Atom_alias
25
public static final byte
$Atom_AttachLen
-32
public static final byte
$Atom_can_reverse
-21
public static final byte
$Atom_chg
27
public static final byte
$Atom_coords
22
public static final byte
$Atom_dispflags
37
public static final byte
$Atom_DotWidth
-31
public static final byte
$Atom_exact_change
79
public static final byte
$Atom_fixed
66
public static final byte
$Atom_h0bit
34
public static final byte
$Atom_hpos
38
public static final byte
$Atom_hshow
98
public static final byte
$Atom_list
24
public static final byte
$Atom_margin_width
-48
public static final byte
$Atom_msdif
29
public static final byte
$Atom_npos
62
public static final byte
$Atom_number
26
public static final byte
$Atom_NumSize
-23
public static final byte
$Atom_Orig_coords
-33
public static final byte
$Atom_rad
28
public static final byte
$Atom_rbcount
31
public static final byte
$Atom_rgroupAtch
53
public static final byte
$Atom_rxn_stereo
80
public static final byte
$Atom_stereo_care
33
public static final byte
$Atom_substcount
32
public static final byte
$Atom_symbol
-24
public static final byte
$Atom_tplatchpt
91
public static final byte
$Atom_type
23
public static final byte
$Atom_unsat
35
public static final byte
$Atom_valence
30
public static final byte
$Atom_value
36
public static final byte
$Atom_zcoord
78
public static final byte
$Begsketch
19
public static final byte
$BigMetaData
85
public static final byte
$Bond_alt_stereo
82
public static final byte
$Bond_atoms
39
public static final byte
$Bond_bond_spacing
-49
public static final byte
$Bond_crossed
81
public static final byte
$Bond_dbl_side
46
public static final byte
$Bond_dbl_width
47
public static final byte
$Bond_hash_spacing
-50
public static final byte
$Bond_qtopo
43
public static final byte
$Bond_rxn_center
44
public static final byte
$Bond_stereo_care
45
public static final byte
$Bond_stereo_type
41
public static final byte
$Bond_topo
42
public static final byte
$Bond_type
40
public static final byte
$Circ_Arc_Points
-51
public static final byte
$Comment
65
public static final byte
$Crop_coords
14
public static final byte
$Endsketch
20
public static final byte
$Fill_color
10
public static final byte
$Fill_RGB2Color
89
public static final byte
$Fill_style
9
public static final byte
$Font
11
public static final byte
$Is_A_Model
92
public static final byte
$Locked
4
public static final byte
$MDLEditText
21
public static final byte
$MetaData
58
public static final byte
$Model_Rotated
-28
public static final byte
$Mol_type
59
public static final byte
$Name
64
public static final byte
$Nostruct_label
-53
public static final byte
$Nostruct_regno
-52
public static final byte
$Obj
3
public static final byte
$Obj_Atom
33
public static final byte
$Obj_Bond
32
public static final byte
$Obj_Chiral
19
public static final byte
$Obj_coords
13
public static final byte
$Obj_Mol
12
public static final byte
$Parent
12
public static final byte
$Pen_color
7
public static final byte
$Pen_RGB2Color
88
public static final byte
$Pen_style
6
public static final byte
$Pen_style_token
84
public static final byte
$Pen_width
5
public static final byte
$Pen_widthUnit
-25
public static final byte
$Poly_points
17
public static final byte
$Poly_smoothed
18
public static final byte
$RGroupNo
49
public static final byte
$RLogic
50
public static final byte
$Roundrect_curve
15
public static final byte
$RxnAtch
48
public static final byte
$SGroupAtch
51
public static final byte
$SGroupAtchPt
61
public static final byte
$SGroupBracketLen
-30
public static final byte
$SGroupContext
-54
public static final byte
$SGroupLinkVal
55
public static final byte
$SGroupName
52
public static final byte
$SGroupNewAtch
-92
public static final byte
$SGroupType
54
public static final byte
$Totobjs
2
public static final byte
$Transparent
8
public static final byte
$Version
1
public static final int
MAXMOLS
12
public static final int
MSDIFF_OFFSET
19
public static final double
PI
3.1415926
-
com.actelion.research.util.StringFunctions Modifier and Type Constant Field Value public static final java.lang.String
PAT_NOT_ALPHANUMERIC
"[^\\p{IsAlphabetic}^\\p{IsDigit}]"
public static final java.lang.String
PAT_WHITESPACE
"[\\s\\u0085\\p{Z}]"
public static final java.lang.String
SEP
"; "
-
com.actelion.research.util.datamodel.ByteVec Modifier and Type Constant Field Value public static final int
COSINE
1
public static final int
EUCLIDEAN
2
public static final int
EUCLIDEAN_FAST
3
public static final int
TANIMOTO
4
public static final int
TANIMOTO_INV
5
-
com.actelion.research.util.datamodel.IntVec Modifier and Type Constant Field Value public static final int
LEN_INTEGER_BYTES
4
public static final int
MASK_FIRST_BYTE
255
public static final int
MASK_FOURTH_BYTE
-16777216
public static final int
MASK_INVERSE_FIRST_BYTE
-256
public static final int
MASK_INVERSE_FOURTH_BYTE
16777215
public static final int
MASK_INVERSE_SEC_BYTE
-65281
public static final int
MASK_INVERSE_THIRD_BYTE
-16711681
public static final int
MASK_SEC_BYTE
65280
public static final int
MASK_THIRD_BYTE
16711680
-
com.actelion.research.util.graph.complete.CompleteGraphMatcher<T extends ICompleteGraph> Modifier and Type Constant Field Value public static final boolean
DEBUG
false
public static final byte
DEFAULT_VAL
-1
public static final int
MAX_NUM_NODES
127
public static final int
MAX_NUM_SOLUTIONS
10000
public static final int
MIN_NUM_NODES_SIM
2
org.machinelearning.*
-
org.machinelearning.svm.libsvm.svm Modifier and Type Constant Field Value public static final int
LIBSVM_VERSION
323
-
org.machinelearning.svm.libsvm.svm_parameter Modifier and Type Constant Field Value public static final int
C_SVC
0
public static final int
EPSILON_SVR
3
public static final int
LINEAR
0
public static final int
NU_SVC
1
public static final int
NU_SVR
4
public static final int
ONE_CLASS
2
public static final int
POLY
1
public static final int
PRECOMPUTED
4
public static final int
RBF
2
public static final int
SIGMOID
3
org.openmolecules.*
-
org.openmolecules.chem.conf.gen.ConformerGenerator Modifier and Type Constant Field Value public static final java.lang.String
DW_FRAGMENTS_FILE
"/home/thomas/data/debug/conformationGeneratorFragments.dwar"
public static final boolean
PRINT_DEBUG_INDEXES
false
public static final boolean
PRINT_ELIMINATION_RULES_WITH_STRUCTURES
false
public static final boolean
PRINT_EXIT_REASON
false
public static final boolean
PRINT_TORSION_AND_FRAGMENT_LIKELYHOODS
false
public static final int
STRATEGY_ADAPTIVE_RANDOM
4
public static final int
STRATEGY_LIKELY_RANDOM
3
public static final int
STRATEGY_LIKELY_SYSTEMATIC
1
public static final int
STRATEGY_PURE_RANDOM
2
protected static final double
VDW_TOLERANCE_HYDROGEN
0.8
protected static final double
VDW_TOLERANCE_OTHER
0.8
-
org.openmolecules.chem.conf.gen.TorsionSetStrategy Modifier and Type Constant Field Value public static final double
MAX_ALLOWED_COLLISION_INTENSITY
0.7
-
org.openmolecules.chem.conf.so.ConformationRule Modifier and Type Constant Field Value public static final int
RULE_TYPE_BINAP
5
public static final int
RULE_TYPE_DISTANCE
0
public static final int
RULE_TYPE_LINE
2
public static final int
RULE_TYPE_PLANE
1
public static final int
RULE_TYPE_STEREO
4
public static final int
RULE_TYPE_TORSION
3
smile.clustering.*
-
smile.clustering.Clustering<T> Modifier and Type Constant Field Value public static final int
OUTLIER
2147483647
smile.data.*
-
smile.data.Dataset<E> Modifier and Type Constant Field Value protected static final java.lang.String
DATASET_HAS_NO_RESPONSE
"The dataset has no response values."
protected static final java.lang.String
RESPONSE_NOT_NOMINAL
"The response variable is not nominal."
protected static final java.lang.String
RESPONSE_NOT_NUMERIC
"The response variable is not numeric."