Constant Field Values
Contents
com.actelion.*
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com.actelion.research.calc.CorrelationCalculator Modifier and Type Constant Field Value public static final intTYPE_BRAVAIS_PEARSON0public static final intTYPE_NONE-1public static final intTYPE_SPEARMAN1 -
com.actelion.research.calc.Matrix Modifier and Type Constant Field Value public static final doubleTINY1.0E-11public static final doubleTINY041.0E-4public static final doubleTINY081.0E-8 -
com.actelion.research.calc.SelfOrganizedMap Modifier and Type Constant Field Value public static final intcModeFastBestMatchFinding32public static final intcModeGrowDuringOptimization16public static final intcModeNeighbourhoodGaussean0public static final intcModeNeighbourhoodLinear2public static final intcModeNeighbourhoodMexicanHat1public static final intcModeTopologyUnlimited8
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com.actelion.research.calc.classification.PrecisionAndRecall Modifier and Type Constant Field Value public static final java.lang.StringATTR_FN"FN"public static final java.lang.StringATTR_FP"FP"public static final java.lang.StringATTR_TN"TN"public static final java.lang.StringATTR_TP"TP"
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com.actelion.research.calc.histogram.ConstantsHistogram Modifier and Type Constant Field Value public static final doubleTINY_FACTOR0.01
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com.actelion.research.calc.regression.ConstantsRegressionMethods Modifier and Type Constant Field Value public static final intDEFAULT_MODEL3public static final java.lang.StringMODEL_GAUSSIAN_PROCESS"Gaussian process regression"public static final java.lang.StringMODEL_KNN"KNN regression"public static final java.lang.StringMODEL_MEDIAN"Median"public static final java.lang.StringMODEL_NEURAL_NETWORK"Neural network regression"public static final java.lang.StringMODEL_PLS"PLS"public static final java.lang.StringMODEL_PLS_POWER"PLS Power"public static final java.lang.StringMODEL_RND_FOREST"Random Forest regression"public static final java.lang.StringMODEL_SVM"SVM regression"public static final java.lang.StringRESULT_EVALUATOR_BALANCED_R2_TRAIN_TEST"BalancedR2TrainTest"public static final java.lang.StringRESULT_EVALUATOR_MAXIMUM_R2_TEST"MaximumR2Test" -
com.actelion.research.calc.regression.ParameterRegressionMethod Modifier and Type Constant Field Value public static final java.lang.StringTAG_NAME"Name"public static final java.lang.StringTAG_STRING"ParameterToString"
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com.actelion.research.calc.regression.gaussianprocess.ParameterGaussianProcess Modifier and Type Constant Field Value public static final doubleLAMBDA0.005public static final java.lang.StringTAG_LAMBDA"Lambda"
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com.actelion.research.calc.regression.knn.KNNRegression Modifier and Type Constant Field Value public static final intNEIGHBOURS3 -
com.actelion.research.calc.regression.knn.ParameterKNN Modifier and Type Constant Field Value public static final java.lang.StringTAG_NEIGHBOURS"Neighbours"
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com.actelion.research.calc.regression.linear.pls.ParameterPLS Modifier and Type Constant Field Value public static final booleanCENTER_DATAtruepublic static final intFACTORS3public static final java.lang.StringTAG_FACTORS"Factors" -
com.actelion.research.calc.regression.linear.pls.PLSRegressionModelCalculator Modifier and Type Constant Field Value public static final intFACTORS15
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com.actelion.research.calc.regression.linear.pls.boxcox.ParameterPLSBoxCox Modifier and Type Constant Field Value public static final doubleLAMBDA0.4public static final java.lang.StringTAG_LAMBDA"Lambda" -
com.actelion.research.calc.regression.linear.pls.boxcox.PLSBoxCoxY Modifier and Type Constant Field Value public static final intFACTORS15public static final doubleLAMBDA0.6
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com.actelion.research.calc.regression.neuralnetwork.NeuralNetworkParameterHelper Modifier and Type Constant Field Value public static final java.lang.StringACTIVATION_FCT_LOG"LogisticSigmoid"public static final java.lang.StringACTIVATION_FCT_TAN"Tangens" -
com.actelion.research.calc.regression.neuralnetwork.ParameterNeuralNetwork Modifier and Type Constant Field Value public static final java.lang.StringTAG_ACTIVATION_FCT"ActivationFunction"public static final java.lang.StringTAG_INNERLAYER_ARCITECTURE"InnerLayerArchitecture"
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com.actelion.research.calc.regression.randomforest.ParameterRandomForest Modifier and Type Constant Field Value public static final intMAX_NODES50public static final doubleMTRY0.333public static final intNODE_SIZE5public static final intNUM_TREES100public static final java.lang.StringTAG_MAX_NODES"MaxNodes"public static final java.lang.StringTAG_MTRY"MTry"public static final java.lang.StringTAG_NODE_SIZE"NodeSize"public static final java.lang.StringTAG_TREES"NumTrees" -
com.actelion.research.calc.regression.randomforest.RandomForestRegression Modifier and Type Constant Field Value public static final intMIN_NUM_VAR_SPLIT3
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com.actelion.research.calc.regression.svm.ParameterSVM Modifier and Type Constant Field Value public static final java.lang.StringTAG_C"C"public static final java.lang.StringTAG_CACHE_SIZE"CacheSize"public static final java.lang.StringTAG_COEF0"Coef0"public static final java.lang.StringTAG_DEGREE"Degree"public static final java.lang.StringTAG_EPSILON"Epsilon"public static final java.lang.StringTAG_GAMMA"Gamma"public static final java.lang.StringTAG_KERNEL"Kernel"public static final java.lang.StringTAG_NR_WEIGHT"nrWeight"public static final java.lang.StringTAG_NU"Nu"public static final java.lang.StringTAG_P"p"public static final java.lang.StringTAG_PROBABILITY"Probability"public static final java.lang.StringTAG_SHRINKING"Shrinking"public static final java.lang.StringTAG_SVM_TYPE"SVMRegressionType" -
com.actelion.research.calc.regression.svm.svm Modifier and Type Constant Field Value public static final intLIBSVM_VERSION323 -
com.actelion.research.calc.regression.svm.SVMParameterHelper Modifier and Type Constant Field Value public static final intDEGREE_ANALYTICALLY_PARAMETER_CALC-1public static final java.lang.StringKERNEL_TYPE_LINEAR"Linear"public static final java.lang.StringKERNEL_TYPE_POLY"Poly"public static final java.lang.StringKERNEL_TYPE_PRECOMPUTED"Precomputed"public static final java.lang.StringKERNEL_TYPE_RBF"RBF"public static final java.lang.StringKERNEL_TYPE_SIGMOID"Sigmoid"public static final java.lang.StringSVM_TYPE_C"C_SVC"public static final java.lang.StringSVM_TYPE_EPSILON_SVR"EpsSVR"public static final java.lang.StringSVM_TYPE_NU"NU_SVC"public static final java.lang.StringSVM_TYPE_NU_SVR"NU_SVR"public static final java.lang.StringSVM_TYPE_ONE_CLASS"OneClass" -
com.actelion.research.calc.regression.svm.SVMRegression Modifier and Type Constant Field Value public static final intLIMIT_ROWS_ANALYTICAL1000public static final doubleNU0.1
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com.actelion.research.calc.statistics.StatisticsOverview Modifier and Type Constant Field Value public static final java.lang.StringTAG_MEAN"Avr"public static final java.lang.StringTAG_MEDIAN"Median"public static final java.lang.StringTAG_PERCENTILE05"Percentile.05"public static final java.lang.StringTAG_PERCENTILE95"Percentile.95"public static final java.lang.StringTAG_SDV"SDV"
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com.actelion.research.chem.AbstractDepictor Modifier and Type Constant Field Value public static final intcColorGray1public static final intcDModeAtomNo2public static final intcDModeBondNo4public static final intcDModeHiliteAllQueryFeatures8public static final intcDModeNoColorOnESRAndCIP8192public static final intcDModeNoImplicitAtomLabelColors2048public static final intcDModeNoStereoProblem4096public static final intcDModeNoTabus1public static final intcDModeShowMapping16public static final intcDModeShowSymmetryDiastereotopic512public static final intcDModeShowSymmetryEnantiotopic1024public static final intcDModeShowSymmetrySimple256public static final intcDModeSuppressChiralText32public static final intcDModeSuppressCIPParity64public static final intcDModeSuppressESR128public static final intcModeChiralTextAboveMolecule262144public static final intcModeChiralTextBelowMolecule0public static final intcModeChiralTextOnFrameBottom786432public static final intcModeChiralTextOnFrameTop524288protected static final intcModeInflateToAVBL196608public static final intcModeInflateToHighResAVBL131072public static final intcModeInflateToMaxAVBL65536protected static final intcModeMaxBondLength65535public static final intcOptAvBondLen24 -
com.actelion.research.chem.AbstractDrawingObject Modifier and Type Constant Field Value protected static final java.lang.StringDESCRIPTOR_END"></DrawingObject>"protected static final java.lang.StringDESCRIPTOR_START"<DrawingObject"protected static final java.lang.StringDESCRIPTOR_TYPE" type=\"" -
com.actelion.research.chem.AtomTypeCalculator Modifier and Type Constant Field Value public static final intcPropertiesAll32702public static final intcPropertiesAtomAllylic8public static final intcPropertiesAtomAromatic4public static final intcPropertiesAtomCharged4096public static final intcPropertiesAtomRingCount8192public static final intcPropertiesAtomRingSize2public static final intcPropertiesAtomSmallRing1public static final intcPropertiesAtomStabilized16public static final intcPropertiesBasicType60public static final intcPropertiesConnAtomAromatic2048public static final intcPropertiesConnAtomNeighbours256public static final intcPropertiesConnAtomNeighboursExact512public static final intcPropertiesConnAtomSmallRing1024public static final intcPropertiesConnAtomStabilized16384public static final intcPropertiesConnAtomType128public static final intcPropertiesConnAtomTypeSimple64public static final intcPropertiesConnBondOrder32public static final intcPropertiesForCLogP2145public static final intcPropertiesForCLogPCharges6241public static final intcPropertiesForMutator32190public static final intcPropertiesForSolubility2144 -
com.actelion.research.chem.Canonizer Modifier and Type Constant Field Value public static final intASSIGN_PARITIES_TO_TETRAHEDRAL_N32public static final intcIDCodeCurrentVersion9protected static final intcIDCodeVersion28protected static final intcIDCodeVersion39public static final intCONSIDER_DIASTEREOTOPICITY2public static final intCONSIDER_ENANTIOTOPICITY4public static final intCONSIDER_STEREOHETEROTOPICITY6public static final intCOORDS_ARE_3D64protected static final intcParity1And4protected static final intcParity1Or6protected static final intcParity2And5protected static final intcParity2Or7public static final intCREATE_PSEUDO_STEREO_GROUPS128public static final intCREATE_SYMMETRY_RANK1public static final intDISTINGUISH_RACEMIC_OR_GROUPS256public static final intENCODE_ATOM_CUSTOM_LABELS8public static final intENCODE_ATOM_SELECTION16public static final intTIE_BREAK_FREE_VALENCE_ATOMS512 -
com.actelion.research.chem.ChemistryHelper Modifier and Type Constant Field Value public static final intREACTION_TYPE_NOMOLS0public static final intREACTION_TYPE_NOPRODUCTS1public static final intREACTION_TYPE_NORMAL3public static final intREACTION_TYPE_REACTANTS2 -
com.actelion.research.chem.ExtendedDepictor Modifier and Type Constant Field Value public static final intTYPE_MARKUSH2public static final intTYPE_MOLECULES0public static final intTYPE_REACTION1 -
com.actelion.research.chem.ExtendedMolecule Modifier and Type Constant Field Value public static final intcMaxConnAtoms16public static final floatFISCHER_PROJECTION_LIMIT0.0872664675116539fpublic static final floatSTEREO_ANGLE_LIMIT0.0872664675116539f -
com.actelion.research.chem.ExtendedMoleculeFunctions Modifier and Type Constant Field Value public static final intCOLOR_FOR_CENTER_SELECTION128public static final intNUMBER_ELEMENTS118 -
com.actelion.research.chem.Molecule Modifier and Type Constant Field Value public static final intcAtomCIPParityNone0public static final intcAtomCIPParityProblem3public static final intcAtomCIPParityRorM1public static final intcAtomCIPParitySorP2public static final intcAtomColorBlue64public static final intcAtomColorDarkGreen384public static final intcAtomColorDarkRed448public static final intcAtomColorGreen192public static final intcAtomColorMagenta256public static final intcAtomColorNone0public static final intcAtomColorOrange320public static final intcAtomColorRed128protected static final intcAtomFlagAllylic8192protected static final intcAtomFlagAromatic4096protected static final intcAtomFlagConfigurationUnknown67108864protected static final intcAtomFlagMarked262144protected static final intcAtomFlags2RingBonds1024protected static final intcAtomFlags3RingBonds2048protected static final intcAtomFlags4RingBonds3072protected static final intcAtomFlagsESR66584576protected static final intcAtomFlagsHelper261135protected static final intcAtomFlagsHelper231752protected static final intcAtomFlagsHelper3134447111protected static final intcAtomFlagSmallRing8protected static final intcAtomFlagsParity3protected static final intcAtomFlagsRingBonds3072protected static final intcAtomFlagStabilized16384protected static final intcAtomFlagStereoProblem131072protected static final intcAtomFlagsValence-268435456public static final intcAtomParity11public static final intcAtomParity22public static final intcAtomParityIsPseudo4public static final intcAtomParityNone0public static final intcAtomParityUnknown3public static final intcAtomQFAny1public static final intcAtomQFAromatic2public static final intcAtomQFAromState6public static final intcAtomQFAromStateBits2public static final intcAtomQFAromStateShift1public static final intcAtomQFCharge234881024public static final intcAtomQFChargeBits3public static final intcAtomQFChargeShift25public static final intcAtomQFExcludeGroup536870912public static final intcAtomQFFlatNitrogen268435456public static final intcAtomQFHydrogen1920public static final intcAtomQFHydrogenBits4public static final intcAtomQFHydrogenShift7public static final intcAtomQFMatchStereo8192public static final intcAtomQFMoreNeighbours4096public static final intcAtomQFNarrowing239060990public static final intcAtomQFNeighbourBits5public static final intcAtomQFNeighbours4063232public static final intcAtomQFNeighbourShift17public static final intcAtomQFNoMoreNeighbours2048public static final intcAtomQFNoOfBits30public static final intcAtomQFNot0Hydrogen128public static final intcAtomQFNot0Neighbours131072public static final intcAtomQFNot0PiElectrons16384public static final intcAtomQFNot1Hydrogen256public static final intcAtomQFNot1Neighbour262144public static final intcAtomQFNot1PiElectron32768public static final intcAtomQFNot2Hydrogen512public static final intcAtomQFNot2Neighbours524288public static final intcAtomQFNot2PiElectrons65536public static final intcAtomQFNot2RingBonds16public static final intcAtomQFNot3Hydrogen1024public static final intcAtomQFNot3Neighbours1048576public static final intcAtomQFNot3RingBonds32public static final intcAtomQFNot4Neighbours2097152public static final intcAtomQFNot4RingBonds64public static final intcAtomQFNotAromatic4public static final intcAtomQFNotChain8public static final intcAtomQFNotCharge067108864public static final intcAtomQFNotChargeNeg33554432public static final intcAtomQFNotChargePos134217728public static final intcAtomQFPiElectronBits3public static final intcAtomQFPiElectrons114688public static final intcAtomQFPiElectronShift14public static final intcAtomQFRingSize29360128public static final intcAtomQFRingSizeBits3public static final intcAtomQFRingSizeShift22public static final intcAtomQFRingState120public static final intcAtomQFRingStateBits4public static final intcAtomQFRingStateShift3public static final intcAtomQFRxnParityBits2public static final intcAtomQFRxnParityHint-1073741824public static final intcAtomQFRxnParityInvert-2147483648public static final intcAtomQFRxnParityRacemize-1073741824public static final intcAtomQFRxnParityRetain1073741824public static final intcAtomQFRxnParityShift30public static final intcAtomQFSimpleFeatures239060990public static final intcAtomRadicalState48public static final intcAtomRadicalStateD32public static final intcAtomRadicalStateNone0public static final intcAtomRadicalStateS16public static final intcAtomRadicalStateShift4public static final intcAtomRadicalStateT48public static final intcBondCIPParityEorP1public static final intcBondCIPParityNone0public static final intcBondCIPParityProblem3public static final intcBondCIPParityZorM2protected static final intcBondFlagAromatic256protected static final intcBondFlagDelocalized512protected static final intcBondFlagRing64protected static final intcBondFlagsCIPParityShift4protected static final intcBondFlagsESR130048protected static final intcBondFlagsHelper2960protected static final intcBondFlagsHelper363protected static final intcBondFlagSmallRing128protected static final intcBondFlagsParity3public static final intcBondParityEor11public static final intcBondParityNone0public static final intcBondParityUnknown3public static final intcBondParityZor22public static final intcBondQFAllFeatures2097151public static final intcBondQFAromatic524288public static final intcBondQFAromState1572864public static final intcBondQFAromStateBits2public static final intcBondQFAromStateShift19public static final intcBondQFBondTypes31public static final intcBondQFBondTypesBits5public static final intcBondQFBondTypesShift0public static final intcBondQFBridge32640public static final intcBondQFBridgeBits8public static final intcBondQFBridgeMin1920public static final intcBondQFBridgeMinBits4public static final intcBondQFBridgeMinShift7public static final intcBondQFBridgeShift7public static final intcBondQFBridgeSpan30720public static final intcBondQFBridgeSpanBits4public static final intcBondQFBridgeSpanShift11public static final intcBondQFDelocalized8public static final intcBondQFDouble2public static final intcBondQFMatchStereo262144public static final intcBondQFMetalLigand16public static final intcBondQFNarrowing1572960public static final intcBondQFNoOfBits21public static final intcBondQFNotAromatic1048576public static final intcBondQFNotRing32public static final intcBondQFRing64public static final intcBondQFRingSize229376public static final intcBondQFRingSizeBits3public static final intcBondQFRingSizeShift15public static final intcBondQFRingState96public static final intcBondQFRingStateBits2public static final intcBondQFRingStateShift5public static final intcBondQFSimpleFeatures1572991public static final intcBondQFSingle1public static final intcBondQFTriple4public static final intcBondTypeCross26public static final intcBondTypeDeleted128public static final intcBondTypeDelocalized64public static final intcBondTypeDouble2public static final intcBondTypeDown9public static final intcBondTypeIncreaseOrder127protected static final intcBondTypeMaskSimple103protected static final intcBondTypeMaskStereo24public static final intcBondTypeMetalLigand32public static final intcBondTypeSingle1public static final intcBondTypeTriple4public static final intcBondTypeUp17public static final intcChiralityDiastereomers458752public static final intcChiralityEpimers393216public static final intcChiralityIsomerCountMask65535public static final intcChiralityKnownEnantiomer262144public static final intcChiralityMeso131072public static final intcChiralityNotChiral65536public static final intcChiralityRacemic196608public static final intcChiralityUnknown0public static final intcChiralityUnknownEnantiomer327680public static final intcDefaultAtomValence6public static final intcESRGroupBits5public static final intcESRMaxGroups32public static final intcESRTypeAbs0public static final intcESRTypeAnd1public static final intcESRTypeOr2public static final intcHelperBitCIP16public static final intcHelperBitIncludeNitrogenParities256public static final intcHelperBitNeighbours1public static final intcHelperBitParities8public static final intcHelperBitRings4public static final intcHelperBitRingsSimple2public static final intcHelperBitsStereo504public static final intcHelperBitSymmetryDiastereotopic64public static final intcHelperBitSymmetryEnantiotopic128public static final intcHelperBitSymmetrySimple32public static final intcHelperCIP31public static final intcHelperNeighbours1public static final intcHelperNone0public static final intcHelperParities15public static final intcHelperRings7public static final intcHelperRingsSimple3public static final intcHelperSymmetryDiastereotopic95public static final intcHelperSymmetryEnantiotopic159public static final intcHelperSymmetrySimple63public static final intcMaxAtomicNo190public static final intcMoleculeColorDefault0public static final intcMoleculeColorNeutral1 -
com.actelion.research.chem.Molecule3D Modifier and Type Constant Field Value public static final intATTACHED_HYDROGEN_COUNT960public static final intATTACHED_HYDROGEN_COUNT_SHIFT6public static final intBACKBONE4public static final intFLAG18public static final intIMPORTANT16public static final intINFO_AMINO4public static final intINFO_ATOMNAME3public static final intINFO_ATOMSEQUENCE1public static final intINFO_BFACTOR7public static final intINFO_CHAINID6public static final intINFO_DESCRIPTION0public static final intINFO_INTERACTION_ATOM_TYPE2public static final intINFO_PPP5public static final intINFO_RESSEQUENCE8public static final intLIGAND2public static final intPREOPTIMIZED32public static final intRIGID1 -
com.actelion.research.chem.MoleculeStandardizer Modifier and Type Constant Field Value public static final intMODE_ADD_NA_AND_CL2public static final intMODE_GET_PARENT1 -
com.actelion.research.chem.MolfileParser Modifier and Type Constant Field Value public static final intMODE_KEEP_HYDROGEN_MAP1 -
com.actelion.research.chem.Mutation Modifier and Type Constant Field Value public static final intMUTATION_ADD_ATOM1public static final intMUTATION_CHANGE_ATOM4public static final intMUTATION_CHANGE_BOND64public static final intMUTATION_CHANGE_RING256public static final intMUTATION_CLOSE_RING32public static final intMUTATION_CLOSE_RING_AND_AROMATIZE512public static final intMUTATION_CUTOUT_ATOM8public static final intMUTATION_CUTOUT_SFRAGMENT16384public static final intMUTATION_DELETE_ATOM16public static final intMUTATION_DELETE_BOND128public static final intMUTATION_DELETE_SUBSTITUENT8192public static final intMUTATION_INSERT_ATOM2public static final intMUTATION_INVERT_PARITY32768public static final intMUTATION_MIGRATE2048public static final intMUTATION_SWAP_SUBSTITUENT4096public static final intMUTATION_TOGGLE_AMID_SULFONAMID1024 -
com.actelion.research.chem.Mutator Modifier and Type Constant Field Value public static final intMUTATION_ANY65535public static final intMUTATION_GROW3public static final intMUTATION_KEEP_SIZE40932public static final intMUTATION_SHRINK24600 -
com.actelion.research.chem.PeriodicTable Modifier and Type Constant Field Value public static final intBromine35public static final intCarbon6public static final intChlorine17public static final intConnectionPoint0public static final intFluorine9public static final intHydrogen1public static final intIodine53public static final intNitrogen7public static final intOxygen8public static final intPhosphorus15public static final intSilicon14public static final intSulfur16 -
com.actelion.research.chem.RingCollection Modifier and Type Constant Field Value public static final intMAX_SMALL_RING_SIZE7public static final intMODE_SMALL_AND_LARGE_RINGS3public static final intMODE_SMALL_AND_LARGE_RINGS_AND_AROMATICITY7public static final intMODE_SMALL_RINGS_AND_AROMATICITY5public static final intMODE_SMALL_RINGS_ONLY1 -
com.actelion.research.chem.SDFileMolecule Modifier and Type Constant Field Value public static final transient java.lang.StringCMNT_FIELD"CMNT"public static final transient java.lang.StringDENSITY_FIELD"DENSITY"public static final transient java.lang.StringID_FIELD"ID"public static final transient java.lang.StringNAME_FIELD"NAME"public static final transient java.lang.StringPURITY_FIELD"PURITY" -
com.actelion.research.chem.SimpleCanonizer Modifier and Type Constant Field Value public static final intMAX_ATOM_BITS8 -
com.actelion.research.chem.SSSearcher Modifier and Type Constant Field Value public static final intcCountModeExistance1public static final intcCountModeFirstMatch2public static final intcCountModeOverlapping4public static final intcCountModeRigorous5public static final intcCountModeSeparated3public static final intcDefaultMatchMode8public static final intcIndexMatchMode4public static final intcMatchAromDBondToDelocalized8public static final intcMatchAtomCharge1public static final intcMatchAtomMass2public static final intcMatchDBondToDelocalized4 -
com.actelion.research.chem.SSSearcherWithIndex Modifier and Type Constant Field Value public static final java.lang.StringcIndexVersion"1.2.1" -
com.actelion.research.chem.StereoMolecule Modifier and Type Constant Field Value public static final java.lang.StringVALIDATION_ERROR_AMBIGUOUS_CONFIGURATION"Ambiguous configuration at stereo center because of 2 parallel bonds"public static final java.lang.StringVALIDATION_ERROR_ESR_CENTER_UNKNOWN"Members of ESR groups must only be stereo centers with known configuration."public static final java.lang.StringVALIDATION_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.StringFLD_CMNT"FLD_CMNT"public static final java.lang.StringFLD_DENSITY"FLD_DENSITY"public static final java.lang.StringFLD_ID"FLD_ID"public static final java.lang.StringFLD_NAME"FLD_NAME"public static final java.lang.StringFLD_PURITY"FLD_PURITY" -
com.actelion.research.chem.StructureSearchDataSource Modifier and Type Constant Field Value public static final longSEARCH_TYPE_NOT_SUPPORTED-1L -
com.actelion.research.chem.StructureSearchSpecification Modifier and Type Constant Field Value public static final intMODE_LARGEST_FRAGMENT_ONLY256public static final intTYPE_BACKBONE_NO_STEREO7public static final intTYPE_EXACT_NO_STEREO4public static final intTYPE_EXACT_STRICT3public static final intTYPE_NO_STRUCTURE0public static final intTYPE_SIMILARITY2public static final intTYPE_SUBSTRUCTURE1public static final intTYPE_TAUTOMER5public static final intTYPE_TAUTOMER_NO_STEREO6 -
com.actelion.research.chem.SVGDepictor Modifier and Type Constant Field Value public static final intDEFAULT_ELEM_WIDTH8 -
com.actelion.research.chem.TextDrawingObject Modifier and Type Constant Field Value public static final doubleDEFAULT_SIZE9.0public static final intDEFAULT_STYLE0public static final java.lang.StringTYPE_STRING"text"
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com.actelion.research.chem.conf.BondLengthSet Modifier and Type Constant Field Value public static final floatDEFAULT_BOND_LENGTH2.000499963760376fpublic static final floatDEFAULT_BOND_STDDEV1.0f -
com.actelion.research.chem.conf.TorsionDB Modifier and Type Constant Field Value public static final intDEFAULT_MERGE_SPAN15public static final intMODE_ANGLES1public static final intMODE_BINS2public static final intTORSION_GREEN0public static final intTORSION_NOT_FOUND-1public static final intTORSION_RED2public static final intTORSION_YELLOW1 -
com.actelion.research.chem.conf.TorsionDetail Modifier and Type Constant Field Value public static final intSYMMETRY_C1C1_OR_C1D10public static final intSYMMETRY_C1D21public static final intSYMMETRY_D1D12public static final intSYMMETRY_D1D2_OR_D2D23
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com.actelion.research.chem.conf.torsionstrain.StatisticalTorsionPotential Modifier and Type Constant Field Value public static final doubleBIN_SIZE5.0public static final doubleCHI1.0E-4public static final doubleMAX10.0public static final doubleOCCURENCE_CUTOFF500.0
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com.actelion.research.chem.contrib.HoseCodeCreator Modifier and Type Constant Field Value public static final intFULL_HOSE_CODE0public static final intHOSE_CODE_CUT_C_SP3_SP31
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com.actelion.research.chem.coords.CoordinateInventor Modifier and Type Constant Field Value protected static final intMODE_CONSIDER_MARKED_ATOMS12public static final intMODE_KEEP_MARKED_ATOM_COORDS4public static final intMODE_PREFER_MARKED_ATOM_COORDS8public static final intMODE_REMOVE_HYDROGEN2public static final intMODE_SKIP_DEFAULT_TEMPLATES1
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com.actelion.research.chem.descriptor.DescriptorConstants Modifier and Type Constant Field Value public static final intDESCRIPTOR_TYPE_MOLECULE1public static final intDESCRIPTOR_TYPE_REACTION2public static final intDESCRIPTOR_TYPE_UNKNOWN-1 -
com.actelion.research.chem.descriptor.DescriptorEncoder Modifier and Type Constant Field Value public static final intMAX_COUNT_VALUE63 -
com.actelion.research.chem.descriptor.DescriptorHandler<T,U> Modifier and Type Constant Field Value public static final java.lang.StringFAILED_STRING"Calculation Failed" -
com.actelion.research.chem.descriptor.DescriptorHandlerFFP512 Modifier and Type Constant Field Value public static final java.lang.StringVERSION"1.2.1" -
com.actelion.research.chem.descriptor.DescriptorHandlerFlexophore Modifier and Type Constant Field Value public static final booleanDEBUGfalseprotected static final intMAX_NUM_HEAVY_ATOMS70public static final intMAX_NUM_SOLUTIONS1000protected static final intMIN_NUM_ATOMS6public static final intMODE_PPNODE_SIMILARITY_COMPARISON1public static final intNUM_CONFORMATIONS250public static final java.lang.StringPARA_TAG_HISTOGRAM_SIMILARITY_THRESH"ThreshHistogramSimilarity"public static final java.lang.StringPARA_TAG_MODE_MATCH"PPNodeMatchMode"public static final java.lang.StringPARA_TAG_MODE_SINGLE_CONFORMATION_QUERY"SingleConfQuery"public static final java.lang.StringPARA_TAG_PPNODE_SIMILARITY_THRESH"ThreshNodeSimilarity"public static final java.lang.StringSEP_PARAMETER","public static final doubleTHRESH_HISTOGRAM_SIMILARITY0.15public static final doubleTHRESH_SIMILARITY_COMPARISON_NODE0.9public static final intVERSION_INTERACTION_TABLES-1 -
com.actelion.research.chem.descriptor.DescriptorHandlerLongFFP512 Modifier and Type Constant Field Value public static final java.lang.StringVERSION"1.2.1" -
com.actelion.research.chem.descriptor.DescriptorHandlerReactionFP Modifier and Type Constant Field Value public static final java.lang.StringcVersion"1.0.0"public static final floatPERIPHERY_WEIGHT0.19999998807907104fpublic static final intREACTION_CENTER_LONG_COUNT8public static final floatREACTION_CENTER_WEIGHT0.800000011920929f -
com.actelion.research.chem.descriptor.DescriptorHelper Modifier and Type Constant Field Value public static final java.lang.StringTAG_SIMILARITY"Similarity" -
com.actelion.research.chem.descriptor.SimilarityCalculatorDoubleArray Modifier and Type Constant Field Value public static final java.lang.StringNAME"SimilarityCalculatorDoubleArray"public static final java.lang.StringSHORT_NAME"SimCalcDblArray"
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com.actelion.research.chem.descriptor.flexophore.ConstantsFlexophore Modifier and Type Constant Field Value public static final intFLAG_CENTER_ATOM16public static final intMAX_NUM_NODES_FLEXOPHORE64public static final byteMODE_HARD_PPPOINTS1public static final byteMODE_SOFT_PPPOINTS0 -
com.actelion.research.chem.descriptor.flexophore.ConstantsFlexophoreHardPPPoints Modifier and Type Constant Field Value public static final java.lang.StringATTR_ACCEPTOR"a"public static final java.lang.StringATTR_ALIPHATIC"l"public static final java.lang.StringATTR_AROMATIC"r"public static final java.lang.StringATTR_DONOR"d"public static final java.lang.StringATTR_NEGATIVE_CHARGE"-"public static final java.lang.StringATTR_POSITIVE_CHARGE"+" -
com.actelion.research.chem.descriptor.flexophore.MolDistHist Modifier and Type Constant Field Value public static final booleanVERBOSEfalse -
com.actelion.research.chem.descriptor.flexophore.MolDistHistViz Modifier and Type Constant Field Value public static final intCAPACITY_INEVITABLE_PPPOINTS5public static final intDESCRIBE_ALL1public static final intDESCRIBE_MAPPED2public static final java.lang.StringTAG_VIZ_INFO_ENCODED"Flexophore2VizInfo" -
com.actelion.research.chem.descriptor.flexophore.MolDistHistVizEncoder Modifier and Type Constant Field Value public static final java.lang.StringSEP"-1" -
com.actelion.research.chem.descriptor.flexophore.PPNode Modifier and Type Constant Field Value public static final intDUMMY_INTERACT_ID37public static final intINFO_DEFAULT-1public static final java.lang.StringMULT_FREQ"*"public static final intNUM_BYTES_INTERACTION_TYPE3public static final java.lang.StringSEPARATOR_ATOMS"," -
com.actelion.research.chem.descriptor.flexophore.UnparametrizedAtomTypeException Modifier and Type Constant Field Value public static final longserialVersionUID23072007L
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com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.ObjectiveBlurFlexophoreHardMatchUncovered Modifier and Type Constant Field Value public static final java.lang.StringINFO""public static final doubleTHRESH_HISTOGRAM_SIMILARITY0.15public static final java.lang.StringVERSION"02.04.2020 08:00" -
com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.PPNodeSimilarity Modifier and Type Constant Field Value public static final doubleHARD_MATCH_OPTIMISTIC_PERCENTILE0.75public static final intSIMILARITY_MODE_CARBON4public static final intSIMILARITY_MODE_HARD_THRESH1public static final intSIMILARITY_MODE_HARD_THRESH_AVR2public static final intSIMILARITY_MODE_HARD_THRESH_OPTIMISTIC3public static final intSIMILARITY_MODE_SIMPLE0public static final doubleTHRESH_SIMILARITY_HARD_MATCH0.9
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com.actelion.research.chem.descriptor.flexophore.example.MatchFlexophoreNodesMain Modifier and Type Constant Field Value public static final java.lang.StringIDCODE_100"ffchb@DXXJWb`dLbbRbrrTTRRMNRUGL@QSPPQQ@@@"public static final java.lang.StringIDCODE_101"fi{iA@IJcdn`Xa@cHhhdmDeDdmDjfBM[MXHHZj`bJp@@@"
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com.actelion.research.chem.descriptor.flexophore.generator.ConstantsFlexophoreGenerator Modifier and Type Constant Field Value public static final intBINS_HISTOGRAM80public static final intINTERACTION_TYPE_NONE-1public static final booleanOPTIMIZE_RIGID_FRAGSfalsepublic static final intRANGE_HISTOGRAM40 -
com.actelion.research.chem.descriptor.flexophore.generator.CreatorMolDistHistViz Modifier and Type Constant Field Value public static final intCONF_GIVEN_SINGLE_CONFORMATION1
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com.actelion.research.chem.descriptor.pharmacophoretree.PharmacophoreNode Modifier and Type Constant Field Value public static final doubleCHEM_SIM_WEIGHT0.7public static final intLINK_NODE6public static final intZERO_NODE1 -
com.actelion.research.chem.descriptor.pharmacophoretree.PharmacophoreTree Modifier and Type Constant Field Value public static final intCUT_LEFT-1public static final intCUT_NONE0public static final intCUT_RIGHT1 -
com.actelion.research.chem.descriptor.pharmacophoretree.PharmacophoreTreeGenerator Modifier and Type Constant Field Value public static final intMAX_RING_SIZE50 -
com.actelion.research.chem.descriptor.pharmacophoretree.TreeMatcher Modifier and Type Constant Field Value public static final doubleALPHA0.8public static final intEXTENSION_MATCH_NODE_NR_LIMIT3public static final intEXTENSION_MATCHES3public static final intINITIAL_SPLITS5public static final doubleMATCH_BALANCE2.0public static final intMATCH_NODE_NR_LIMIT2public static final doubleMATCH_SIZE_LIMIT3.0public static final doubleNULL_MATCH_SCALING0.5public static final doubleSIMILARITY_SCALING_SPLIT_SCORE0.6public static final doubleSIZE_RATIO2.0
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com.actelion.research.chem.docking.DockingEngine Modifier and Type Constant Field Value public static final doubleGRID_DIMENSION6.0public static final doubleGRID_RESOLUTION0.5public static final doubleMINI_CUTOFF100.0
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com.actelion.research.chem.docking.scoring.plp.REPTerm Modifier and Type Constant Field Value public static final doubleA3.2public static final doubleB5.0public static final doubleB_sq25.0public static final doubleC0.05public static final doubleD20.0
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com.actelion.research.chem.forcefield.AbstractForceField Modifier and Type Constant Field Value public static final doubleEPS3.0E-8public static final doubleFUNCTOL1.0E-4public static final doubleMAXSTEP100.0public static final doubleMOVETOL1.0E-7public static final doubleTOLX1.2E-7
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com.actelion.research.chem.forcefield.mmff.Constants Modifier and Type Constant Field Value public static final doubleDEG2RAD0.017453292519943295public static final doubleMDYNE_A_TO_KCAL_MOL143.9325public static final doubleRAD2DEG57.29577951308232 -
com.actelion.research.chem.forcefield.mmff.ForceFieldMMFF94 Modifier and Type Constant Field Value public static final java.lang.StringMMFF94"MMFF94"public static final java.lang.StringMMFF94S"MMFF94s"public static final java.lang.StringMMFF94SPLUS"MMFF94s+"
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com.actelion.research.chem.forcefield.mmff.table.VanDerWaals Modifier and Type Constant Field Value public final doubleb0.2public final doublebeta12.0public final doubledaeps0.5public final doubledarad0.8public final doublepower0.25
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com.actelion.research.chem.interactionstatistics.InteractionDistanceStatistics Modifier and Type Constant Field Value public static final doubleBIN_SIZE0.2public static final doubleCHI1.0E-4public static final doubleCUTOFF_RADIUS6.0public static final doubleMAX10.0public static final doubleOCCURENCE_CUTOFF500.0
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com.actelion.research.chem.io.CompoundFileHelper Modifier and Type Constant Field Value public static final intcFileTypeDataWarrior1public static final intcFileTypeDataWarriorCompatibleData49393public static final intcFileTypeDataWarriorMacro8public static final intcFileTypeDataWarriorQuery4public static final intcFileTypeDataWarriorTemplate2public static final intcFileTypeDataWarriorTemplateContaining7public static final intcFileTypeDirectory-2public static final intcFileTypeGIF2048public static final intcFileTypeJPG1024public static final intcFileTypeMask262143public static final intcFileTypeMOL65536public static final intcFileTypeMOL2131072public static final intcFileTypePDB262144public static final intcFileTypePictureFile15360public static final intcFileTypePNG4096public static final intcFileTypeRD49152public static final intcFileTypeRDV232768public static final intcFileTypeRDV316384public static final intcFileTypeRXN256public static final intcFileTypeSD192public static final intcFileTypeSDV2128public static final intcFileTypeSDV364public static final intcFileTypeSOM512public static final intcFileTypeSVG8192public static final intcFileTypeText48public static final intcFileTypeTextCommaSeparated32public static final intcFileTypeTextTabDelimited16public static final intcFileTypeUnknown-1 -
com.actelion.research.chem.io.CompoundTableConstants Modifier and Type Constant Field Value public static final booleancAllowLogModeForNegativeOrZeroValuestruepublic static final java.lang.StringcAutoStartMacro"autoStartMacro"public static final java.lang.StringcColumnName"columnName"public static final java.lang.StringcColumnNameRowList"List \'"public static final java.lang.StringcColumnProperty"columnProperty"public static final java.lang.StringcColumnPropertyBinBase"binBase"public static final java.lang.StringcColumnPropertyBinIsDate"binIsDate"public static final java.lang.StringcColumnPropertyBinIsLog"binIsLog"public static final java.lang.StringcColumnPropertyBinSize"binSize"public static final java.lang.StringcColumnPropertyCommentDepartment"commentDepartment"public static final java.lang.StringcColumnPropertyCommentUploadStatus"commentUploadStatus"public static final java.lang.StringcColumnPropertyCyclicDataMax"cyclicDataMax"public static final java.lang.StringcColumnPropertyDataMax"dataMax"public static final java.lang.StringcColumnPropertyDataMin"dataMin"public static final java.lang.StringcColumnPropertyDescriptorVersion"version"public static final java.lang.StringcColumnPropertyDetailCount"detailCount"public static final java.lang.StringcColumnPropertyDetailName"detailName"public static final java.lang.StringcColumnPropertyDetailSeparator"detailSeparator"public static final java.lang.StringcColumnPropertyDetailSource"detailSource"public static final java.lang.StringcColumnPropertyDetailType"detailType"public static final java.lang.StringcColumnPropertyDisplayGroup"displayGroup"public static final java.lang.StringcColumnPropertyEnd"</column properties>"public static final java.lang.StringcColumnPropertyFormula"formula"public static final java.lang.StringcColumnPropertyGroupName"groupName"public static final java.lang.StringcColumnPropertyImagePath"imagePath"public static final java.lang.StringcColumnPropertyIsClusterNo"isClusterNo"public static final java.lang.StringcColumnPropertyIsDisplayable"isDisplayable"public static final java.lang.StringcColumnPropertyIsFragment"isFragment"public static final java.lang.StringcColumnPropertyLaunchAllowMultiple"launchAllowMultiple"public static final java.lang.StringcColumnPropertyLaunchCommand"launchCommand"public static final java.lang.StringcColumnPropertyLaunchCount"launchCount"public static final java.lang.StringcColumnPropertyLaunchDecoration"launchDecoration"public static final java.lang.StringcColumnPropertyLaunchName"launchName"public static final java.lang.StringcColumnPropertyLaunchOption"launchOption"public static final java.lang.StringcColumnPropertyLookupCount"lookupCount"public static final java.lang.StringcColumnPropertyLookupDetailURL"lookupDetailURL"public static final java.lang.StringcColumnPropertyLookupEncode"lookupEncode"public static final java.lang.StringcColumnPropertyLookupFilter"lookupFilter"public static final java.lang.StringcColumnPropertyLookupFilterRemoveMinus"lookupFilterRemoveMinus"public static final java.lang.StringcColumnPropertyLookupName"lookupName"public static final java.lang.StringcColumnPropertyLookupURL"lookupURL"public static final java.lang.StringcColumnPropertyOpenExternalName"openExternalName"public static final java.lang.StringcColumnPropertyOpenExternalPath"openExternalPath"public static final java.lang.StringcColumnPropertyOrbitType"orbitType"public static final java.lang.StringcColumnPropertyParentColumn"parent"public static final java.lang.StringcColumnPropertyReactionPart"reactionPart"public static final java.lang.StringcColumnPropertyReferencedColumn"refColumn"public static final java.lang.StringcColumnPropertyReferenceStrengthColumn"refStrengthColumn"public static final java.lang.StringcColumnPropertyReferenceType"refType"public static final java.lang.StringcColumnPropertyReferenceTypeRedundant"redundant"public static final java.lang.StringcColumnPropertyReferenceTypeTopDown"topdown"public static final java.lang.StringcColumnPropertyRelatedCatalystColumn"catalystColumn"public static final java.lang.StringcColumnPropertyRelatedIdentifierColumn"idColumn"public static final java.lang.StringcColumnPropertySpecialType"specialType"public static final java.lang.StringcColumnPropertyStart"<column properties>"public static final java.lang.StringcColumnPropertySuperpose"superpose"public static final java.lang.StringcColumnPropertySuperposeAlign"align"public static final java.lang.StringcColumnPropertySuperposeMolecule"superposeMol"public static final java.lang.StringcColumnPropertyUseThumbNail"useThumbNail"public static final java.lang.StringcColumnType2DCoordinates"idcoordinates2D"public static final java.lang.StringcColumnType3DCoordinates"idcoordinates3D"public static final java.lang.StringcColumnTypeAtomColorInfo"atomColorInfo"public static final java.lang.StringcColumnTypeIDCode"idcode"public static final java.lang.StringcColumnTypeReactionMapping"atomMapping"public static final java.lang.StringcColumnTypeReactionObjects"reactionObjects"public static final java.lang.StringcColumnTypeRXNCode"rxncode"public static final java.lang.StringcColumnUnassignedCode"<none>"public static final java.lang.StringcColumnUnassignedItemText"<Unassigned>"public static final java.lang.StringcDataDependentPropertiesEnd"</data dependent properties>"public static final java.lang.StringcDataDependentPropertiesStart"<data dependent properties type=\""public static final intcDataTypeAutomatic0public static final intcDataTypeDate3public static final intcDataTypeFloat1public static final intcDataTypeInteger2public static final intcDataTypeString4public static final java.lang.StringcDefaultDetailSeparator"|#|"public static final java.lang.StringcDetailDataEnd"</detail data>"public static final java.lang.StringcDetailDataStart"<detail data>"public static final java.lang.StringcDetailID"detailID"public static final java.lang.StringcDetailIndexSeparator":"public static final java.lang.StringcEntrySeparator"; "public static final java.lang.StringcExtensionNameFileExplanation"explanation"public static final java.lang.StringcExtensionNameMacroList"macroList"public static final java.lang.StringcFileExplanationEnd"</datawarrior explanation>"public static final java.lang.StringcFileExplanationStart"<datawarrior explanation>"public static final java.lang.StringcHitlistData"hitlistData"public static final java.lang.StringcHitlistDataEnd"</hitlist data>"public static final java.lang.StringcHitlistDataStart"<hitlist data>"public static final java.lang.StringcHitlistName"hitlistName"public static final java.lang.StringcLineSeparator"\n"public static final bytecLineSeparatorByte10public static final java.lang.StringcMacroListEnd"</datawarrior macroList>"public static final java.lang.StringcMacroListStart"<datawarrior macroList>"public static final intcMaxDateOrDoubleCategoryCount16384public static final intcMaxTextCategoryCount65536public static final java.lang.StringcNativeFileCreated"created"public static final java.lang.StringcNativeFileHeaderEnd"</datawarrior-fileinfo>"public static final java.lang.StringcNativeFileHeaderStart"<datawarrior-fileinfo>"public static final java.lang.StringcNativeFileRowCount"rowcount"public static final java.lang.StringcNativeFileVersion"version"public static final java.lang.StringcPropertiesEnd"</datawarrior properties>"public static final java.lang.StringcPropertiesStart"<datawarrior properties>"public static final java.lang.StringcRangeNotAvailable"<none>"public static final java.lang.StringcRangeSeparation" <= x < "public static final intcReactionHiliteModeNone2public static final intcReactionHiliteModeReactionCenter0public static final java.lang.StringcReactionPartDelimiter" of "public static final java.lang.StringcReactionPartProducts"products"public static final java.lang.StringcReactionPartReactants"reactants"public static final java.lang.StringcReactionPartReaction"reaction"public static final intcStructureHiliteModeCurrentRow1public static final intcStructureHiliteModeFilter0public static final intcStructureHiliteModeNone2public static final intcSummaryModeMaximum4public static final intcSummaryModeMean1public static final intcSummaryModeMedian2public static final intcSummaryModeMinimum3public static final intcSummaryModeNormal0public static final intcSummaryModeSum5public static final java.lang.StringcSuperposeAlignValueShape"shape"public static final java.lang.StringcSuperposeValueReferenceRow"refRow"public static final java.lang.StringcTemplateTagName"datawarrior properties"public static final intcTextExclusionTypeContains1public static final intcTextExclusionTypeEndsWith3public static final intcTextExclusionTypeEquals4public static final intcTextExclusionTypeRegEx5public static final intcTextExclusionTypeStartsWith2public static final java.lang.StringcTextMultipleCategories"<multiple categories>"public static final java.lang.StringcViewConfigTagName"view configuration"public static final java.lang.StringcViewNameEnd"</view>"public static final java.lang.StringcViewNameStart"<view name=\""public static final java.lang.StringNEWLINE_REGEX"\\r?\\n|\\r"public static final java.lang.StringNEWLINE_STRING"<NL>"public static final java.lang.StringTAB_STRING"<TAB>" -
com.actelion.research.chem.io.DWARFileParser Modifier and Type Constant Field Value public static final intMODE_BUFFER_HEAD_AND_TAIL8public static final intMODE_COORDINATES_PREFER_2D1public static final intMODE_COORDINATES_PREFER_3D2public static final intMODE_COORDINATES_REQUIRE_2D3public static final intMODE_COORDINATES_REQUIRE_3D4public static final intMODE_EXTRACT_DETAILS16 -
com.actelion.research.chem.io.Mol2FileParser Modifier and Type Constant Field Value public static final intiAMPAC_CHARGES7public static final intiDEL_RE1public static final intiDICT_CHARGES9public static final intiGAST_HUCK3public static final intiGASTEIGER2public static final intiGAUSS80_CHARGES6public static final intiHUCKEL4public static final intiMMFF94_CHARGES10public static final intiMULLIKEN_CHARGES8public static final intiNO_CHARGES0public static final intiPULLMAN5public static final intiUSER_CHARGES11 -
com.actelion.research.chem.io.RDFileParser Modifier and Type Constant Field Value public static final java.lang.StringcNewLineString"\n" -
com.actelion.research.chem.io.RXNFileCreator Modifier and Type Constant Field Value public static final java.lang.StringRXN_CODE_TAG"OCL_RXN_V1.0:" -
com.actelion.research.chem.io.RXNFileV3Creator Modifier and Type Constant Field Value public static final java.lang.StringRXN_CODE_TAG"OCL_RXN_V1.0:" -
com.actelion.research.chem.io.SDFileParser Modifier and Type Constant Field Value public static final java.lang.StringcNewLineString"\n"
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com.actelion.research.chem.io.pdb.converter.AminoAcidsLabeledContainer Modifier and Type Constant Field Value public static final intAMINO_ACIDS20 -
com.actelion.research.chem.io.pdb.converter.ConstantsAminoAcidsLabeled Modifier and Type Constant Field Value public static final java.lang.StringRESOURCE_AAS_LABELED"/resources/pdb/aminoAcidsLabeled.txt"public static final java.lang.StringTAG_AAS_ABBR1"Abbreviation1"public static final java.lang.StringTAG_AAS_NAME"Name"
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com.actelion.research.chem.io.pdb.parser.PDBFileParser Modifier and Type Constant Field Value public static final java.lang.StringDATE_FORMAT"dd-MMM-yy"public static final java.lang.StringTAG_ANISOU"ANISOU"public static final java.lang.StringTAG_ATOM"ATOM"public static final java.lang.StringTAG_AUTHOR"AUTHOR"public static final java.lang.StringTAG_CAVEAT"CAVEAT"public static final java.lang.StringTAG_CISPEP"CISPEP"public static final java.lang.StringTAG_COMPND"COMPND"public static final java.lang.StringTAG_CONECT"CONECT"public static final java.lang.StringTAG_CRYST1"CRYST1"public static final java.lang.StringTAG_DBREF"DBREF"public static final java.lang.StringTAG_DBREF1_DBREF2"DBREF1/DBREF2"public static final java.lang.StringTAG_END"END"public static final java.lang.StringTAG_ENDMDL"ENDMDL"public static final java.lang.StringTAG_EXPDTA"EXPDTA"public static final java.lang.StringTAG_FORMUL"FORMUL"public static final java.lang.StringTAG_HEADER"HEADER"public static final java.lang.StringTAG_HELIX"HELIX"public static final java.lang.StringTAG_HET"HET"public static final java.lang.StringTAG_HETATM"HETATM"public static final java.lang.StringTAG_HETNAM"HETNAM"public static final java.lang.StringTAG_HETSYN"HETSYN"public static final java.lang.StringTAG_JRNL"JRNL"public static final java.lang.StringTAG_KEYWDS"KEYWDS"public static final java.lang.StringTAG_LINK"LINK"public static final java.lang.StringTAG_MASTER"MASTER"public static final java.lang.StringTAG_MDLTYP"MDLTYP"public static final java.lang.StringTAG_MODEL"MODEL"public static final java.lang.StringTAG_MODRES"MODRES"public static final java.lang.StringTAG_MTRIX1"MTRIX1"public static final java.lang.StringTAG_MTRIX2"MTRIX2"public static final java.lang.StringTAG_MTRIX3"MTRIX3"public static final java.lang.StringTAG_NUMMDL"NUMMDL"public static final java.lang.StringTAG_OBSOLTE"OBSLTE"public static final java.lang.StringTAG_ORIGX1"ORIGX1"public static final java.lang.StringTAG_ORIGX2"ORIGX2"public static final java.lang.StringTAG_ORIGX3"ORIGX3"public static final java.lang.StringTAG_REMARK"REMARK"public static final java.lang.StringTAG_REMARK_N"REMARK N"public static final java.lang.StringTAG_REMARK0"REMARK 0"public static final java.lang.StringTAG_REMARK1"REMARK 1"public static final java.lang.StringTAG_REMARK2"REMARK 2"public static final java.lang.StringTAG_REMARK3"REMARK 3"public static final java.lang.StringTAG_REVDAT"REVDAT"public static final java.lang.StringTAG_SCALE1"SCALE1"public static final java.lang.StringTAG_SCALE2"SCALE2"public static final java.lang.StringTAG_SCALE3"SCALE3"public static final java.lang.StringTAG_SEQADV"SEQADV"public static final java.lang.StringTAG_SEQRES"SEQRES"public static final java.lang.StringTAG_SHEET"SHEET"public static final java.lang.StringTAG_SITE"SITE"public static final java.lang.StringTAG_SOURCE"SOURCE"public static final java.lang.StringTAG_SPLIT"SPLIT"public static final java.lang.StringTAG_SPRSDE"SPRSDE"public static final java.lang.StringTAG_SSBOND"SSBOND"public static final java.lang.StringTAG_TER"TER"public static final java.lang.StringTAG_TITLE"TITLE" -
com.actelion.research.chem.io.pdb.parser.StructureAssembler Modifier and Type Constant Field Value public static final java.lang.StringLIGAND_GROUP"ligand"public static final java.lang.StringPROTEIN_GROUP"protein"public static final java.lang.StringSOLVENT_GROUP"water"
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com.actelion.research.chem.mcs.ExhaustiveFragmentGeneratorBonds Modifier and Type Constant Field Value public static final longLIMIT_NEIGHBOURS_SINCE_LAST_ADDED100000000L -
com.actelion.research.chem.mcs.MCS Modifier and Type Constant Field Value public static final intPAR_CLEAVE_RINGS0public static final intPAR_KEEP_AROMATIC_RINGS2public static final intPAR_KEEP_RINGS1 -
com.actelion.research.chem.mcs.MCSFast Modifier and Type Constant Field Value public static final intPAR_CLEAVE_RINGS0public static final intPAR_KEEP_AROMATIC_RINGS2public static final intPAR_KEEP_RINGS1
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com.actelion.research.chem.phesa.Gaussian3D Modifier and Type Constant Field Value public static final doubleDIST_CUTOFF10.0 -
com.actelion.research.chem.phesa.MolecularVolume Modifier and Type Constant Field Value public static final doublealpha_pref2.41798793102public static final doublep2.82842712475 -
com.actelion.research.chem.phesa.VolumeGaussian Modifier and Type Constant Field Value public static final intEXCLUSION-1public static final intINCLUSION1
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com.actelion.research.chem.phesa.pharmacophore.PharmacophoreCalculator Modifier and Type Constant Field Value public static final intACCEPTOR_ID0public static final intAROM_ID4public static final intAROM_RING_ID6public static final intCHARGE_NEG_ID2public static final intCHARGE_POS_ID3public static final intDONOR_ID1public static final intEXIT_VECTOR_ID7public static final intLIPO_ID5public static final intMAX_ID7
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com.actelion.research.chem.phesaflex.FlexibleShapeAlignment Modifier and Type Constant Field Value public static final doubleENERGY_CUTOFF10.0
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com.actelion.research.chem.prediction.CLogPPredictor Modifier and Type Constant Field Value public static final floatcCLogPUnknown-999.0f -
com.actelion.research.chem.prediction.DruglikenessPredictor Modifier and Type Constant Field Value public static final doublecDruglikenessUnknown-999.0 -
com.actelion.research.chem.prediction.DruglikenessPredictorWithIndex Modifier and Type Constant Field Value public static final doublecDruglikenessUnknown-999.0 -
com.actelion.research.chem.prediction.MolecularPropertyHelper Modifier and Type Constant Field Value public static final intMOLECULAR_PROPERTY_ACIDIC_OXYGENS14public static final intMOLECULAR_PROPERTY_AROMRINGCOUNT12public static final intMOLECULAR_PROPERTY_BASIC_NITROGENS13public static final intMOLECULAR_PROPERTY_CLOGP1public static final intMOLECULAR_PROPERTY_CLOGS2public static final intMOLECULAR_PROPERTY_COMPLEXITY7public static final intMOLECULAR_PROPERTY_FLEXIBILITY6public static final intMOLECULAR_PROPERTY_HACCEPTORS5public static final intMOLECULAR_PROPERTY_HDONORS4public static final intMOLECULAR_PROPERTY_MOLWEIGHT0public static final intMOLECULAR_PROPERTY_ROTATABLEBONDS9public static final intMOLECULAR_PROPERTY_SHAPE8public static final intMOLECULAR_PROPERTY_SMALLRINGCOUNT11public static final intMOLECULAR_PROPERTY_STEREOCENTERS10public static final intMOLECULAR_PROPERTY_TPSA3 -
com.actelion.research.chem.prediction.ParameterizedStringList Modifier and Type Constant Field Value public static final intcStringTypeDouble3public static final intcStringTypeIDCode1public static final intcStringTypeText2 -
com.actelion.research.chem.prediction.PolarSurfaceAreaPredictor Modifier and Type Constant Field Value public static final floatcPSAUnknown-1.0f -
com.actelion.research.chem.prediction.SolubilityPredictor Modifier and Type Constant Field Value public static final floatcSolubilityUnknown-999.0f -
com.actelion.research.chem.prediction.TotalSurfaceAreaPredictor Modifier and Type Constant Field Value public static final floatcPSAUnknown-1.0f -
com.actelion.research.chem.prediction.ToxicityPredictor Modifier and Type Constant Field Value public static final intcHighRisk3public static final intcLowRisk2public static final intcNoRisk1public static final intcRiskTypeIrritant2public static final intcRiskTypeMutagenic0public static final intcRiskTypeReproductiveEffective3public static final intcRiskTypes4public static final intcRiskTypeTumorigenic1public static final intcUnknownRisk0
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com.actelion.research.chem.properties.complexity.BitArray128 Modifier and Type Constant Field Value public static final intMAX_NUM_BITS128 -
com.actelion.research.chem.properties.complexity.ExhaustiveFragmentsStatistics Modifier and Type Constant Field Value public static final intMINLEN_FRAG1 -
com.actelion.research.chem.properties.complexity.ModelExhaustiveStatistics Modifier and Type Constant Field Value public static final java.lang.StringTAG_ModelExhaustiveStatistics"ModelExhaustiveStatistics" -
com.actelion.research.chem.properties.complexity.MultipleNonOverlapSolution Modifier and Type Constant Field Value public static final java.lang.StringTAG_MultipleNonOverlapSolution"MultipleNonOverlapSolution" -
com.actelion.research.chem.properties.complexity.ObjectiveExhaustiveStatistics Modifier and Type Constant Field Value public static final doubleALMOST_ZERO1.0E-6public static final doubleBASE_LOG2.718281828459045public static final intDELTA_BONDS1public static final intNUM_BONDS_START_REGRESSION_SMALL_MOLECULE1 -
com.actelion.research.chem.properties.complexity.ResultFragmentsStatistic Modifier and Type Constant Field Value public static final java.lang.StringTAG_ResultFragmentsStatistic"ResultFragmentsStatistic" -
com.actelion.research.chem.properties.complexity.SummaryFragments Modifier and Type Constant Field Value public static final java.lang.StringTAG_COMPLEXITY"Complexity"public static final java.lang.StringTAG_MAXIMUM_SLOPE"MaxSlope"public static final java.lang.StringTAG_NUM_BONDS_AT_MAXIMUM_FREQ"NumBondsAtMaxFreq"public static final java.lang.StringTAG_NUM_BONDS_AT_MAXIMUM_SLOPE"NumBondsAtMaxSlope"public static final java.lang.StringTAG_RATIO_NON_SYMMETRIC_ATOMS"RatioNonSymmetricAtoms"public static final java.lang.StringTAG_RATIO_USED_BONDS_UP_TO_MAX_FREQ"RatioUsedBondsUpToMaxFreq"public static final java.lang.StringTAG_SUM_UNIQUE_FRAGMENTS_UNTIL_MAX"SumUniqueFragmentsUntilMaxFrags"
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com.actelion.research.chem.properties.fractaldimension.FractalDimensionMoleculeMain Modifier and Type Constant Field Value public static final java.lang.StringPREFIX_OUTPUT"fractalDimensionMoleculeResult" -
com.actelion.research.chem.properties.fractaldimension.ResultFracDimCalc Modifier and Type Constant Field Value public static final java.lang.StringSEP"\t"public static final java.lang.StringTAG_BONDS_AT_MAX_FRAGS_CALC"BondNumberAtMaxNumFragCalculated"public static final java.lang.StringTAG_FRACTAL_DIM"FractalDimension"public static final java.lang.StringTAG_ID"MoleculeId"public static final java.lang.StringTAG_MAX_NUM_UNIQUE_FRAGMENTS_CALC"MaxNumUniqueFragmentsCalculated"public static final java.lang.StringTAG_MESSAGE"Message"public static final java.lang.StringTAG_SMILES"SMILES"public static final java.lang.StringTAG_SUM_UNIQUE_FRAGMENTS_CALC"SumUniqueFragmentsCalculated"
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com.actelion.research.chem.reaction.Classification Modifier and Type Constant Field Value public static final intINDEXLEN4public static final intMAXENDUR10public static final intMAXFLASH10public static final intMAXINDICES8public static final intMAXUNITS16 -
com.actelion.research.chem.reaction.ReactionArrow Modifier and Type Constant Field Value public static final java.lang.StringTYPE_STRING"arrow" -
com.actelion.research.chem.reaction.ReactionClassifier Modifier and Type Constant Field Value public static final intcError2AlphasInSameStrand20public static final intcErrorCCBondCleavageLimit15public static final intcErrorCCBondCreationLimit16public static final intcErrorComplexReaction17public static final intcErrorCRClassifyError22public static final intcErrorDRClassifyError23public static final intcErrorDupProdMapNoDifEd7public static final intcErrorEductMapNoOverused2public static final intcErrorEduFragPartMapped10public static final intcErrorForkedOrLongStrand19public static final intcErrorFragmentAtomLimit11public static final intcErrorHRClassifyError21public static final intcErrorIncoOrLeavMissing26public static final intcErrorMapNoNotInEduct6public static final intcErrorMapNoNotInProduct5public static final intcErrorNoChangeNorEFG1public static final intcErrorNoChangingAtoms18public static final intcErrorNoDatabaseReaction28public static final intcErrorNoError0public static final intcErrorProdFragPartMapped12public static final intcErrorProdMapNoOverused13public static final intcErrorProdMapNoOverused24public static final intcErrorProdRemapFailed9public static final intcErrorRAClassifyError24public static final intcErrorREClassifyError25public static final intcErrorUnexpected13public static final intcErrorUnitReactionLimit27public static final intcErrorUnMappedCInConOrFr14public static final intcIndexFullPermutation2public static final intcIndexNone0public static final intcIndexOnePermToFile1 -
com.actelion.research.chem.reaction.ReactionEncoder Modifier and Type Constant Field Value public static final charCATALYST_DELIMITER43public static final intINCLUDE_ALL15public static final intINCLUDE_CATALYSTS8public static final intINCLUDE_COORDS2public static final intINCLUDE_DEFAULT3public static final intINCLUDE_DRAWING_OBJECTS4public static final intINCLUDE_MAPPING1public static final intINCLUDE_RXN_CODE_ONLY0public static final charMOLECULE_DELIMITER32public static final java.lang.StringMOLECULE_DELIMITER_STRING" "public static final charOBJECT_DELIMITER35public static final java.lang.StringOBJECT_DELIMITER_STRING"#"public static final charPRODUCT_IDENTIFIER33public static final intRETAIN_REACTANT_AND_PRODUCT_ORDER16 -
com.actelion.research.chem.reaction.ReactionSearchDataSource Modifier and Type Constant Field Value public static final longSEARCH_TYPE_NOT_SUPPORTED-1L -
com.actelion.research.chem.reaction.ReactionSearchSpecification Modifier and Type Constant Field Value public static final intTYPE_EXACT_NO_STEREO5public static final intTYPE_EXACT_STRICT4public static final intTYPE_NO_REACTION0public static final intTYPE_RETRON3public static final intTYPE_SIMILARITY2public static final intTYPE_SUBREACTION1 -
com.actelion.research.chem.reaction.Reactor Modifier and Type Constant Field Value public static final intMODE_ALLOW_CHARGE_CORRECTIONS8public static final intMODE_FULLY_MAP_REACTIONS2public static final intMODE_REMOVE_DUPLICATE_PRODUCTS4public static final intMODE_RETAIN_COORDINATES1
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com.actelion.research.chem.shredder.Fragment Modifier and Type Constant Field Value public static final java.lang.StringTAG_FREQUENCY"FrequencySumAll"public static final java.lang.StringTAG_FREQUENCY_ONE_PER_MOLECULE"FrequencyOnePerMolecule"public static final java.lang.StringTAG_RELATIVE_FREQUNCY"Relative frequencySumAll"public static final java.lang.StringTAG_SIZE"Size fragment"
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com.actelion.research.gui.CompoundCollectionPane<T> Modifier and Type Constant Field Value public static final intFILE_SUPPORT_NONE0public static final intFILE_SUPPORT_OPEN_AND_SAVE_FILES3public static final intFILE_SUPPORT_OPEN_FILES1public static final intFILE_SUPPORT_SAVE_FILES2 -
com.actelion.research.gui.DrawAreaEvent Modifier and Type Constant Field Value public static final intTYPE_HILITE_ATOM_CHANGED3public static final intTYPE_HILITE_BOND_CHANGED4public static final intTYPE_MOLECULE_CHANGED1public static final intTYPE_SELECTION_CHANGED2 -
com.actelion.research.gui.JAtomLabelDialog Modifier and Type Constant Field Value public static final longserialVersionUID537395731L -
com.actelion.research.gui.JChemistryView Modifier and Type Constant Field Value public static final intPASTE_AND_DROP_OPTION_ALLOW_FRAGMENT_STATE_CHANGE1public static final intPASTE_AND_DROP_OPTION_KEEP_ATOM_COLORS2public static final intPASTE_AND_DROP_OPTION_KEEP_BOND_HIGHLIGHTING4public static final intPASTE_AND_DROP_OPTION_LAYOUT_REACTION32public static final intPASTE_AND_DROP_OPTION_REMOVE_CATALYSTS8public static final intPASTE_AND_DROP_OPTION_REMOVE_DRAWING_OBJECTS16 -
com.actelion.research.gui.JDrawArea Modifier and Type Constant Field Value public static final intFAKE_ATOM_NO100public static final intMODE_DRAWING_OBJECTS8public static final intMODE_MARKUSH_STRUCTURE2public static final intMODE_MULTIPLE_FRAGMENTS1public static final intMODE_REACTION4protected static final intUPDATE_CHECK_COORDS3protected static final intUPDATE_CHECK_VIEW2protected static final intUPDATE_INVENT_COORDS6protected static final intUPDATE_NONE0protected static final intUPDATE_REDRAW1protected static final intUPDATE_SCALE_COORDS4protected static final intUPDATE_SCALE_COORDS_USE_FRAGMENTS5 -
com.actelion.research.gui.JDrawToolbar Modifier and Type Constant Field Value protected static final intcButtonCleanStructure1protected static final intcButtonClear0protected static final intcButtonsPerColumn17protected static final intcButtonUndo17protected static final intcTool3Ring7protected static final intcTool4Ring24protected static final intcTool5Ring8protected static final intcTool6Ring25protected static final intcTool7Ring9protected static final intcToolAromRing26protected static final intcToolAtomBr15protected static final intcToolAtomC11protected static final intcToolAtomCl31protected static final intcToolAtomF14protected static final intcToolAtomH16protected static final intcToolAtomI32protected static final intcToolAtomN12protected static final intcToolAtomO13protected static final intcToolAtomOther33protected static final intcToolAtomP29protected static final intcToolAtomS30protected static final intcToolAtomSi28protected static final intcToolChain22protected static final intcToolDelete4protected static final intcToolDownBond23protected static final intcToolESR20protected static final intcToolESRAbs101protected static final intcToolESRAnd103protected static final intcToolESROr102public static final intcToolLassoPointer2protected static final intcToolMapper19protected static final intcToolNegCharge27protected static final intcToolPosCharge10protected static final intcToolStdBond5protected static final intcToolText21protected static final intcToolUnknownParity3protected static final intcToolUpBond6protected static final intcToolZoom18 -
com.actelion.research.gui.JImagePanel Modifier and Type Constant Field Value public static final java.lang.StringcDefaultImageExtension".jpg"public static final java.lang.StringcThumbNailExtension"_s" -
com.actelion.research.gui.JLoginDialog Modifier and Type Constant Field Value public static final java.lang.StringcLoginCancel"loginCancel"public static final java.lang.StringcLoginOK"loginOK"public static final java.lang.StringPREFERENCES_KEY_USERID"databaseUserID" -
com.actelion.research.gui.JMultiPanelView Modifier and Type Constant Field Value public static final java.lang.StringVIEW_HEIGHT"height" -
com.actelion.research.gui.PruningBarEvent Modifier and Type Constant Field Value public static final intTYPE_DRAGGED1public static final intTYPE_TYPED2 -
com.actelion.research.gui.VerticalFlowLayout Modifier and Type Constant Field Value public static final intBOTTOM2public static final intCENTER1public static final intLEFT3public static final intRIGHT4public static final intTOP0
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com.actelion.research.gui.clipboard.NativeClipboardAccessor Modifier and Type Constant Field Value public static final java.lang.StringNC_ALDUSMETAFILE"ALDUS_METAFILE"public static final java.lang.StringNC_BITMAP"CF_BITMAP"public static final java.lang.StringNC_CHEMDRAWINTERCHANGE"ChemDraw Interchange Format"public static final java.lang.StringNC_CTAB"MDLCT"public static final java.lang.StringNC_DIB"CF_DIB"public static final java.lang.StringNC_EMBEDDEDSKETCH"MDLSK_EMBEDDED"public static final java.lang.StringNC_IDCODE"IDCODE"public static final java.lang.StringNC_METAFILE"CF_METAFILEPICT"public static final java.lang.StringNC_MOLFILE"MDL_MOL"public static final java.lang.StringNC_SERIALIZEMOLECULE"ACT_MOLECULE"public static final java.lang.StringNC_SERIALIZEREACTION"ACT_REACTION"public static final java.lang.StringNC_SKETCH"MDLSK"
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com.actelion.research.gui.clipboard.external.ChemDrawCDX Modifier and Type Constant Field Value public static final intkCDXObj_Bond32773public static final intkCDXObj_Fragment32771public static final intkCDXObj_Group32770public static final intkCDXObj_Node32772public static final intkCDXObj_Page32769
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com.actelion.research.gui.dnd.MoleculeDropAdapter Modifier and Type Constant Field Value public static final booleandebugfalse -
com.actelion.research.gui.dnd.ReactionDropAdapter Modifier and Type Constant Field Value public static final booleandebugfalse
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com.actelion.research.gui.dock.JDockingPanel Modifier and Type Constant Field Value public static final intDOCK_BOTTOM3public static final intDOCK_CENTER0public static final intDOCK_LEFT2public static final intDOCK_RIGHT4public static final intDOCK_TOP1
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com.actelion.research.gui.hidpi.ColorUtils Modifier and Type Constant Field Value public static final java.lang.StringBLACK"#000000"
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com.actelion.research.gui.wmf.WMF Modifier and Type Constant Field Value public static final intMFCOMMENT15 -
com.actelion.research.gui.wmf.WMFConstants Modifier and Type Constant Field Value public static final intALTERNATE1public static final byteANSI_CHARSET0public static final intBLACKNESS66public static final intBS_DIBPATTERN5public static final intBS_HATCHED2public static final intBS_HOLLOW1public static final intBS_NULL1public static final intBS_PATTERN3public static final intBS_SOLID0public static final byteCLIP_CHARACTER_PRECIS1public static final byteCLIP_DEFAULT_PRECIS0public static final byteCLIP_LH_ANGLES16public static final byteCLIP_MASK15public static final byteCLIP_STROKE_PRECIS2public static final byteCLIP_TT_ALWAYS32public static final byteDEFAULT_CHARSET1public static final byteDEFAULT_PITCH0public static final byteDEFAULT_QUALITY0public static final intDIB_PAL_COLORS1public static final intDIB_RGB_COLORS0public static final byteDRAFT_QUALITY1public static final intDSTINVERT5570569public static final intETO_CLIPPED4public static final intETO_GRAYED1public static final intETO_OPAQUE2public static final byteFF_DECORATIVE80public static final byteFF_DONTCARE0public static final byteFF_MODERN48public static final byteFF_ROMAN16public static final byteFF_SCRIPT64public static final byteFF_SWISS32public static final byteFIXED_PITCH1public static final intFW_BLACK900public static final intFW_BOLD700public static final intFW_DONTCARE100public static final intFW_NORMAL400public static final intFW_THIN100public static final intHS_BDIAGONAL3public static final intHS_CROSS4public static final intHS_DIAGCROSS5public static final intHS_FDIAGONAL2public static final intHS_HORIZONTAL0public static final intHS_VERTICAL1public static final intMERGEPAINT12255782public static final intMETA_ALDUS_APM-1698247209public static final intMETA_ANIMATEPALETTE1078public static final intMETA_ARC2071public static final intMETA_BITBLT2338public static final intMETA_CHORD2096public static final intMETA_CREATEBITMAP1790public static final intMETA_CREATEBITMAPINDIRECT765public static final intMETA_CREATEBRUSH248public static final intMETA_CREATEBRUSHINDIRECT764public static final intMETA_CREATEFONTINDIRECT763public static final intMETA_CREATEPALETTE247public static final intMETA_CREATEPATTERNBRUSH505public static final intMETA_CREATEPENINDIRECT762public static final intMETA_CREATEREGION1791public static final intMETA_DELETEOBJECT496public static final intMETA_DIBBITBLT2368public static final intMETA_DIBCREATEPATTERNBRUSH322public static final intMETA_DIBSTRETCHBLT2881public static final intMETA_DRAWTEXT1583public static final intMETA_ELLIPSE1048public static final intMETA_ESCAPE1574public static final intMETA_EXCLUDECLIPRECT1045public static final intMETA_EXTFLOODFILL1352public static final intMETA_EXTTEXTOUT2610public static final intMETA_FILLREGION552public static final intMETA_FLOODFILL1049public static final intMETA_FRAMEREGION1065public static final intMETA_INTERSECTCLIPRECT1046public static final intMETA_INVERTREGION298public static final intMETA_LINETO531public static final intMETA_MOVETO532public static final intMETA_OBJ_ANSI_FIXED_FONT11public static final intMETA_OBJ_ANSI_VAR_FONT12public static final intMETA_OBJ_BLACK_BRUSH4public static final intMETA_OBJ_BLACK_PEN7public static final intMETA_OBJ_DEFAULT_PALETTE15public static final intMETA_OBJ_DEVICE_DEFAULT_FONT14public static final intMETA_OBJ_DKGRAY_BRUSH3public static final intMETA_OBJ_GRAY_BRUSH2public static final intMETA_OBJ_HOLLOW_BRUSH5public static final intMETA_OBJ_LTGRAY_BRUSH1public static final intMETA_OBJ_NULL_BRUSH5public static final intMETA_OBJ_NULL_PEN8public static final intMETA_OBJ_OEM_FIXED_FONT10public static final intMETA_OBJ_SYSTEM_FIXED_FONT16public static final intMETA_OBJ_SYSTEM_FONT13public static final intMETA_OBJ_WHITE_BRUSH0public static final intMETA_OBJ_WHITE_PEN6public static final intMETA_OFFSETCLIPRGN544public static final intMETA_OFFSETVIEWPORTORG529public static final intMETA_OFFSETWINDOWORG527public static final intMETA_PAINTREGION299public static final intMETA_PATBLT1565public static final intMETA_PIE2074public static final intMETA_POLYBEZIER164096public static final intMETA_POLYGON804public static final intMETA_POLYLINE805public static final intMETA_POLYPOLYGON1336public static final intMETA_REALIZEPALETTE53public static final intMETA_RECTANGLE1051public static final intMETA_RESIZEPALETTE313public static final intMETA_RESTOREDC295public static final intMETA_ROUNDRECT1564public static final intMETA_SAVEDC30public static final intMETA_SCALEVIEWPORTEXT1042public static final intMETA_SCALEWINDOWEXT1040public static final intMETA_SELECTCLIPREGION300public static final intMETA_SELECTOBJECT301public static final intMETA_SELECTPALETTE564public static final intMETA_SETBKCOLOR513public static final intMETA_SETBKMODE258public static final intMETA_SETDIBTODEV3379public static final intMETA_SETMAPMODE259public static final intMETA_SETMAPPERFLAGS561public static final intMETA_SETPALENTRIES55public static final intMETA_SETPIXEL1055public static final intMETA_SETPOLYFILLMODE262public static final intMETA_SETRELABS261public static final intMETA_SETROP2260public static final intMETA_SETSTRETCHBLTMODE263public static final intMETA_SETTEXTALIGN302public static final intMETA_SETTEXTCHAREXTRA264public static final intMETA_SETTEXTCOLOR521public static final intMETA_SETTEXTJUSTIFICATION522public static final intMETA_SETVIEWPORTEXT526public static final intMETA_SETVIEWPORTORG525public static final intMETA_SETWINDOWEXT524public static final intMETA_SETWINDOWORG523public static final intMETA_STRETCHBLT2851public static final intMETA_STRETCHDIB3907public static final intMETA_TEXTOUT1313public static final intMFCOMMENT15public static final intMM_ANISOTROPIC8public static final intMM_HIENGLISH5public static final intMM_HIMETRIC3public static final intMM_HITWIPS6public static final intMM_ISOTROPIC7public static final intMM_LOENGLISH4public static final intMM_LOMETRIC2public static final intMM_TEXT1public static final intNOTSRCCOPY3342344public static final intNOTSRCERASE1114278public static final byteOEM_CHARSET-1public static final intOPAQUE2public static final byteOUT_CHARACTER_PRECIS2public static final byteOUT_DEFAULT_PRECIS0public static final byteOUT_DEVICE_PRECIS5public static final byteOUT_RASTER_PRECIS6public static final byteOUT_STRING_PRECIS1public static final byteOUT_STROKE_PRECIS3public static final byteOUT_TT_PRECIS4public static final intPATCOPY15728673public static final intPATINVERT5898313public static final intPATPAINT16452105public static final bytePROOF_QUALITY2public static final intPS_DASH1public static final intPS_DASHDOT3public static final intPS_DASHDOTDOT4public static final intPS_DOT2public static final intPS_INSIDEFRAME6public static final intPS_NULL5public static final intPS_SOLID0public static final intR2_BLACK1public static final intR2_COPYPEN13public static final intR2_MASKNOTPENNOT3public static final intR2_MASKPEN9public static final intR2_MASKPENNOT5public static final intR2_MERGENOTPEN12public static final intR2_MERGEPEN15public static final intR2_MERGEPENNOT14public static final intR2_NOP11public static final intR2_NOT6public static final intR2_NOTCOPYPEN4public static final intR2_NOTMASKPEN8public static final intR2_NOTMERGEPEN2public static final intR2_NOTXORPEN10public static final intR2_WHITE16public static final intR2_XORPEN7public static final byteSHIFTJIS_CHARSET-128public static final intSRCAND8913094public static final intSRCCOPY13369376public static final intSRCERASE4457256public static final intSRCINVERT6684742public static final intSRCPAINT15597702public static final intSTRETCH_ANDSCANS1public static final intSTRETCH_DELETESCANS3public static final intSTRETCH_ORSCANS2public static final byteSYMBOL_CHARSET2public static final intTA_BASELINE24public static final intTA_BOTTOM8public static final intTA_CENTER6public static final intTA_LEFT0public static final intTA_NOUPDATECP0public static final intTA_RIGHT2public static final intTA_TOP0public static final intTA_UPDATECP1public static final intTRANSPARENT1public static final byteVARIABLE_PITCH2public static final intWHITENESS16711778public static final intWINDING2 -
com.actelion.research.gui.wmf.WMFGraphics Modifier and Type Constant Field Value public static final intMM_ANISOTROPIC8public static final intSRC_AND8913094public static final intSRC_COPY13369376public static final intSRC_PAINT15597702
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com.actelion.research.jfx.gui.chem.MoleculeViewSkin Modifier and Type Constant Field Value public static final intDEFAULT_IMAGE_HEIGHT200public static final intDEFAULT_IMAGE_WIDTH200
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com.actelion.research.share.gui.editor.Model Modifier and Type Constant Field Value public static final intFAKE_ATOM_NO100public static final intKEY_IS_ATOM_LABEL1public static final intKEY_IS_INVALID4public static final intKEY_IS_SUBSTITUENT2public static final intKEY_IS_VALID_START3public static final intMAX_CONNATOMS8public static final intMAX_UNDO_SIZE5public static final intMIN_BOND_LENGTH_SQUARE100public static final intMODE_DRAWING_OBJECTS8public static final intMODE_MARKUSH_STRUCTURE2public static final intMODE_MULTIPLE_FRAGMENTS1public static final intMODE_REACTION4
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com.actelion.research.share.gui.editor.actions.DrawAction Modifier and Type Constant Field Value public static final doubleHIGHLIGHT_ATOM_RADIUS5.0public static final intKEYSTROKEFONTSIZE24public static final intMAX_CONNATOMS8public static final java.lang.StringUNKNOWN"<unknown>"
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com.actelion.research.share.gui.editor.geom.IColor Modifier and Type Constant Field Value public static final longBLACK255Lpublic static final longBLUE65535Lpublic static final longGRAY2863311615Lpublic static final longGREEN16711935Lpublic static final longRED68451041535Lpublic static final longTRANSPARENT0Lpublic static final longWHITE4294967295L -
com.actelion.research.share.gui.editor.geom.ICursor Modifier and Type Constant Field Value public static final intCROSSHAIR1public static final intDEFAULT0public static final intMAX_DEFAULT_CURSOR13public static final intSE_RESIZE4public static final intTOOL_CHAINCURSOR45public static final intTOOL_CTEXTCURSOR2public static final intTOOL_CURSOR_BASE45public static final intTOOL_DELETECURSOR46public static final intTOOL_FISTCURSOR49public static final intTOOL_HANDCURSOR47public static final intTOOL_HANDPLUSCURSOR48public static final intTOOL_LASSOCURSOR50public static final intTOOL_LASSOPLUSCURSOR51public static final intTOOL_POINTERCURSOR0public static final intTOOL_SELECTRECTCURSOR52public static final intTOOL_SELECTRECTPLUSCURSOR53public static final intTOOL_ZOOMCURSOR54
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com.actelion.research.util.Angle Modifier and Type Constant Field Value public final doubleTWO_PI6.283185307179586 -
com.actelion.research.util.AnimatedGIFWriter Modifier and Type Constant Field Value public static final byteAPPLICATION_EXTENSION_LABEL-1public static final byteCOMMENT_EXTENSION_LABEL-2public static final byteEXTENSION_INTRODUCER33public static final byteGRAPHIC_CONTROL_LABEL-7public static final byteIMAGE_SEPARATOR44public static final byteIMAGE_TRAILER59public static final byteTEXT_EXTENSION_LABEL1 -
com.actelion.research.util.AnimatedGIFWriter.GIFFrame Modifier and Type Constant Field Value public static final intDISPOSAL_LEAVE_AS_IS1public static final intDISPOSAL_RESTORE_TO_BACKGROUND2public static final intDISPOSAL_RESTORE_TO_PREVIOUS3public static final intDISPOSAL_TO_BE_DEFINED7public static final intDISPOSAL_UNSPECIFIED0public static final intTRANSPARENCY_COLOR_NONE-1public static final intTRANSPARENCY_INDEX_NONE0public static final intTRANSPARENCY_INDEX_SET1public static final intUSER_INPUT_EXPECTED1public static final intUSER_INPUT_NONE0 -
com.actelion.research.util.Base64 Modifier and Type Constant Field Value public static final intDECODE0public static final intDO_BREAK_LINES8public static final intDONT_GUNZIP4public static final intENCODE1public static final intGZIP2public static final intNO_OPTIONS0public static final intORDERED32public static final intURL_SAFE16 -
com.actelion.research.util.BitUtils Modifier and Type Constant Field Value public static final longMASK_FIRST_SHORT65535Lpublic static final longMASK_FOURTH_SHORT-281474976710656Lpublic static final longMASK_SEC_SHORT4294901760Lpublic static final longMASK_THIRD_SHORT281470681743360L -
com.actelion.research.util.CommandLineParser Modifier and Type Constant Field Value public static final java.lang.StringHELP"-h" -
com.actelion.research.util.ConstantsDWAR Modifier and Type Constant Field Value public static final intATOM_LABEL_R1142public static final intATOM_LABEL_R2143public static final intATOM_LABEL_R3144public static final java.lang.StringATTR_NO"N"public static final java.lang.StringATTR_YES"Y"public static final java.lang.StringCHARSET_ENCODING"UTF8"public static final java.lang.StringDWAQ_EXTENSION".dwaq"public static final java.lang.StringDWAR_EXTENSION".dwar"public static final java.lang.StringODE_EXTENSION".ode"public static final java.lang.StringPACKAGE_DATAWARRIOR_IDORSIA"com.actelion.research.datawarrior.DataWarriorActelionLinux"public static final java.lang.StringPATTERN_NF_DWAR"0.000############"public static final java.lang.StringPATTERN_NF_DWAR4"0.0000"public static final java.lang.StringPLATFORM_NAME_DATAWARRIOR"datawarrior"public static final java.lang.StringREGEX_FILE_EXTENSION"(.*\\.ode)|(.*\\.dwar)"public static final java.lang.StringSDF_EXTENSION".sdf"public static final java.lang.StringSEP_LINE"<NL>"public static final java.lang.StringSEP_VALUE"; "public static final java.lang.StringTAG_ACTNO"Idorsia No"public static final java.lang.StringTAG_ATOMS"Atoms"public static final java.lang.StringTAG_BONDS"Bonds"public static final java.lang.StringTAG_CONFORMERSET"conformerSet"public static final java.lang.StringTAG_COOR"idcoordinates"public static final java.lang.StringTAG_COOR2"idcoordinates2D"public static final java.lang.StringTAG_COOR3D"idcoordinates3D"public static final java.lang.StringTAG_ID_QUERY"Id Query"public static final java.lang.StringTAG_IDCODE"idcode"public static final java.lang.StringTAG_IDCODE2"Structure"public static final java.lang.StringTAG_LIGAND_EFFICIENCY"LE"public static final java.lang.StringTAG_MW"Total Molweight"public static final java.lang.StringTAG_NAME"Name"public static final java.lang.StringTAG_QUERY_IDENTIFIER"QueryIdentifier"public static final java.lang.StringTAG_REACTION_CODE"ReactionCode"public static final java.lang.StringTAG_REACTION_COORD"ReactionCoordinates"public static final java.lang.StringTAG_REACTION_DRAW_OBJ"ReactionDrawingObjects"public static final java.lang.StringTAG_REACTION_MAPPING"ReactionMapping"public static final java.lang.StringTAG_RECORD_NO"Record No"public static final java.lang.StringTAG_SOURCE"Source"public static final java.lang.StringTAG_STRUCTURE_EXCLUDE"Exclude"public static final java.lang.StringTAG_STRUCTURE_INCLUDE"Include" -
com.actelion.research.util.CursorHelper Modifier and Type Constant Field Value public static final intcChainCursor0public static final intcDeleteCursor1public static final intcFistCursor4public static final intcHandCursor2public static final intcHandPlusCursor3public static final intcInvisibleCursor10public static final intcLassoCursor5public static final intcLassoPlusCursor6public static final intcPointedHandCursor13public static final intcPointerCursor11public static final intcSelectRectCursor7public static final intcSelectRectPlusCursor8public static final intcTextCursor12public static final intcZoomCursor9 -
com.actelion.research.util.DoubleVec Modifier and Type Constant Field Value public static final intCOSINE1public static final intEUCLIDEAN2public static final intEUCLIDEAN_FAST3public static final intTANIMOTO4public static final intTANIMOTO_INV5 -
com.actelion.research.util.Sketch Modifier and Type Constant Field Value public static final byte$3D_atom_query77public static final byte$3D_basis_objs68public static final byte$3D_dihed_chiral74public static final byte$3D_exclus_dradius-22public static final byte$3D_exclus_ignore83public static final byte$3D_exclus_radius75public static final byte$3D_marker_rf-29public static final byte$3D_maxval71public static final byte$3D_minval70public static final byte$3D_name69public static final byte$3D_num_basis_objs67public static final byte$3D_point_ddist-20public static final byte$3D_point_dir76public static final byte$3D_point_dist73public static final byte$3D_tolerance72public static final byte$Abbrev_atch60public static final byte$Arc_endpts16public static final byte$ArrowDir56public static final byte$ArrowShaftSp-26public static final byte$ArrowSize-27public static final byte$ArrowStyle57public static final byte$ArrowType-36public static final byte$Atom_aamap_num96public static final byte$Atom_aamapped63public static final byte$Atom_alias25public static final byte$Atom_AttachLen-32public static final byte$Atom_can_reverse-21public static final byte$Atom_chg27public static final byte$Atom_coords22public static final byte$Atom_dispflags37public static final byte$Atom_DotWidth-31public static final byte$Atom_exact_change79public static final byte$Atom_fixed66public static final byte$Atom_h0bit34public static final byte$Atom_hpos38public static final byte$Atom_hshow98public static final byte$Atom_list24public static final byte$Atom_margin_width-48public static final byte$Atom_msdif29public static final byte$Atom_npos62public static final byte$Atom_number26public static final byte$Atom_NumSize-23public static final byte$Atom_Orig_coords-33public static final byte$Atom_rad28public static final byte$Atom_rbcount31public static final byte$Atom_rgroupAtch53public static final byte$Atom_rxn_stereo80public static final byte$Atom_stereo_care33public static final byte$Atom_substcount32public static final byte$Atom_symbol-24public static final byte$Atom_tplatchpt91public static final byte$Atom_type23public static final byte$Atom_unsat35public static final byte$Atom_valence30public static final byte$Atom_value36public static final byte$Atom_zcoord78public static final byte$Begsketch19public static final byte$BigMetaData85public static final byte$Bond_alt_stereo82public static final byte$Bond_atoms39public static final byte$Bond_bond_spacing-49public static final byte$Bond_crossed81public static final byte$Bond_dbl_side46public static final byte$Bond_dbl_width47public static final byte$Bond_hash_spacing-50public static final byte$Bond_qtopo43public static final byte$Bond_rxn_center44public static final byte$Bond_stereo_care45public static final byte$Bond_stereo_type41public static final byte$Bond_topo42public static final byte$Bond_type40public static final byte$Circ_Arc_Points-51public static final byte$Comment65public static final byte$Crop_coords14public static final byte$Endsketch20public static final byte$Fill_color10public static final byte$Fill_RGB2Color89public static final byte$Fill_style9public static final byte$Font11public static final byte$Is_A_Model92public static final byte$Locked4public static final byte$MDLEditText21public static final byte$MetaData58public static final byte$Model_Rotated-28public static final byte$Mol_type59public static final byte$Name64public static final byte$Nostruct_label-53public static final byte$Nostruct_regno-52public static final byte$Obj3public static final byte$Obj_Atom33public static final byte$Obj_Bond32public static final byte$Obj_Chiral19public static final byte$Obj_coords13public static final byte$Obj_Mol12public static final byte$Parent12public static final byte$Pen_color7public static final byte$Pen_RGB2Color88public static final byte$Pen_style6public static final byte$Pen_style_token84public static final byte$Pen_width5public static final byte$Pen_widthUnit-25public static final byte$Poly_points17public static final byte$Poly_smoothed18public static final byte$RGroupNo49public static final byte$RLogic50public static final byte$Roundrect_curve15public static final byte$RxnAtch48public static final byte$SGroupAtch51public static final byte$SGroupAtchPt61public static final byte$SGroupBracketLen-30public static final byte$SGroupContext-54public static final byte$SGroupLinkVal55public static final byte$SGroupName52public static final byte$SGroupNewAtch-92public static final byte$SGroupType54public static final byte$Totobjs2public static final byte$Transparent8public static final byte$Version1public static final intMAXMOLS12public static final intMSDIFF_OFFSET19public static final doublePI3.1415926 -
com.actelion.research.util.StringFunctions Modifier and Type Constant Field Value public static final java.lang.StringPAT_NOT_ALPHANUMERIC"[^\\p{IsAlphabetic}^\\p{IsDigit}]"public static final java.lang.StringPAT_WHITESPACE"[\\s\\u0085\\p{Z}]"public static final java.lang.StringSEP"; "
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com.actelion.research.util.datamodel.ByteVec Modifier and Type Constant Field Value public static final intCOSINE1public static final intEUCLIDEAN2public static final intEUCLIDEAN_FAST3public static final intTANIMOTO4public static final intTANIMOTO_INV5 -
com.actelion.research.util.datamodel.IntVec Modifier and Type Constant Field Value public static final intLEN_INTEGER_BYTES4public static final intMASK_FIRST_BYTE255public static final intMASK_FOURTH_BYTE-16777216public static final intMASK_INVERSE_FIRST_BYTE-256public static final intMASK_INVERSE_FOURTH_BYTE16777215public static final intMASK_INVERSE_SEC_BYTE-65281public static final intMASK_INVERSE_THIRD_BYTE-16711681public static final intMASK_SEC_BYTE65280public static final intMASK_THIRD_BYTE16711680
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com.actelion.research.util.graph.complete.CompleteGraphMatcher<T extends ICompleteGraph> Modifier and Type Constant Field Value public static final booleanDEBUGfalsepublic static final byteDEFAULT_VAL-1public static final intMAX_NUM_NODES127public static final intMAX_NUM_SOLUTIONS10000public static final intMIN_NUM_NODES_SIM2
org.machinelearning.*
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org.machinelearning.svm.libsvm.svm Modifier and Type Constant Field Value public static final intLIBSVM_VERSION323 -
org.machinelearning.svm.libsvm.svm_parameter Modifier and Type Constant Field Value public static final intC_SVC0public static final intEPSILON_SVR3public static final intLINEAR0public static final intNU_SVC1public static final intNU_SVR4public static final intONE_CLASS2public static final intPOLY1public static final intPRECOMPUTED4public static final intRBF2public static final intSIGMOID3
org.openmolecules.*
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org.openmolecules.chem.conf.gen.ConformerGenerator Modifier and Type Constant Field Value public static final java.lang.StringDW_FRAGMENTS_FILE"/home/thomas/data/debug/conformationGeneratorFragments.dwar"public static final booleanPRINT_DEBUG_INDEXESfalsepublic static final booleanPRINT_ELIMINATION_RULES_WITH_STRUCTURESfalsepublic static final booleanPRINT_EXIT_REASONfalsepublic static final booleanPRINT_TORSION_AND_FRAGMENT_LIKELYHOODSfalsepublic static final intSTRATEGY_ADAPTIVE_RANDOM4public static final intSTRATEGY_LIKELY_RANDOM3public static final intSTRATEGY_LIKELY_SYSTEMATIC1public static final intSTRATEGY_PURE_RANDOM2protected static final doubleVDW_TOLERANCE_HYDROGEN0.8protected static final doubleVDW_TOLERANCE_OTHER0.8 -
org.openmolecules.chem.conf.gen.TorsionSetStrategy Modifier and Type Constant Field Value public static final doubleMAX_ALLOWED_COLLISION_INTENSITY0.7
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org.openmolecules.chem.conf.so.ConformationRule Modifier and Type Constant Field Value public static final intRULE_TYPE_BINAP5public static final intRULE_TYPE_DISTANCE0public static final intRULE_TYPE_LINE2public static final intRULE_TYPE_PLANE1public static final intRULE_TYPE_STEREO4public static final intRULE_TYPE_TORSION3
org.slf4j.*
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org.slf4j.Logger Modifier and Type Constant Field Value public static final java.lang.StringROOT_LOGGER_NAME"ROOT" -
org.slf4j.Marker Modifier and Type Constant Field Value public static final java.lang.StringANY_MARKER"*"public static final java.lang.StringANY_NON_NULL_MARKER"+"
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org.slf4j.event.EventConstants Modifier and Type Constant Field Value public static final intDEBUG_INT10public static final intERROR_INT40public static final intINFO_INT20public static final java.lang.StringNA_SUBST"NA/SubstituteLogger"public static final intTRACE_INT0public static final intWARN_INT30
smile.clustering.*
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smile.clustering.Clustering<T> Modifier and Type Constant Field Value public static final intOUTLIER2147483647
smile.data.*
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smile.data.Dataset<E> Modifier and Type Constant Field Value protected static final java.lang.StringDATASET_HAS_NO_RESPONSE"The dataset has no response values."protected static final java.lang.StringRESPONSE_NOT_NOMINAL"The response variable is not nominal."protected static final java.lang.StringRESPONSE_NOT_NUMERIC"The response variable is not numeric."