Constant Field Values

Contents

chemaxon.calculations.*

  • chemaxon.calculations.dipole.DipoleResult
    Modifier and Type
    Constant Field
    Value
    protected static final double
    DEBYE_TO_EA
    0.20822678
  • chemaxon.calculations.stereo.Stereochemistry
    Modifier and Type
    Constant Field
    Value
    public static final int
    EVEN
    2
    public static final int
    ODD
    1

chemaxon.checkers.*

chemaxon.core.*

  • chemaxon.core.ChemConst
    Modifier and Type
    Constant Field
    Value
    public static final int
    Ac
    89
    public static final int
    Ag
    47
    public static final int
    Al
    13
    public static final int
    Am
    95
    public static final int
    Ar
    18
    public static final int
    As
    33
    public static final int
    At
    85
    public static final int
    Au
    79
    public static final int
    B
    5
    public static final int
    Ba
    56
    public static final int
    Be
    4
    public static final int
    Bh
    107
    public static final int
    Bi
    83
    public static final int
    Bk
    97
    public static final int
    Br
    35
    public static final int
    C
    6
    public static final int
    Ca
    20
    public static final int
    Cd
    48
    public static final int
    Ce
    58
    public static final int
    Cf
    98
    public static final int
    Cl
    17
    public static final int
    Cm
    96
    public static final int
    Cn
    112
    public static final int
    Co
    27
    public static final int
    Cr
    24
    public static final int
    Cs
    55
    public static final int
    Cu
    29
    public static final int
    Db
    105
    public static final int
    Ds
    110
    public static final int
    Dy
    66
    public static final int
    ELEMENT_COUNT
    118
    public static final int
    Er
    68
    public static final int
    Es
    99
    public static final int
    Eu
    63
    public static final int
    F
    9
    public static final int
    Fe
    26
    public static final int
    Fl
    114
    public static final int
    Fm
    100
    public static final int
    Fr
    87
    public static final int
    Ga
    31
    public static final int
    Gd
    64
    public static final int
    Ge
    32
    public static final int
    H
    1
    public static final int
    He
    2
    public static final int
    Hf
    72
    public static final int
    Hg
    80
    public static final int
    Ho
    67
    public static final int
    Hs
    108
    public static final int
    I
    53
    public static final int
    In
    49
    public static final int
    Ir
    77
    public static final int
    K
    19
    public static final int
    Kr
    36
    public static final int
    La
    57
    public static final int
    Li
    3
    public static final int
    Lr
    103
    public static final int
    Lu
    71
    public static final int
    Lv
    116
    public static final int
    Mc
    115
    public static final int
    Md
    101
    public static final int
    Mg
    12
    public static final int
    Mn
    25
    public static final int
    Mo
    42
    public static final int
    Mt
    109
    public static final int
    N
    7
    public static final int
    Na
    11
    public static final int
    Nb
    41
    public static final int
    Nd
    60
    public static final int
    Ne
    10
    public static final int
    Nh
    113
    public static final int
    Ni
    28
    public static final int
    No
    102
    public static final int
    Np
    93
    public static final int
    O
    8
    public static final int
    Og
    118
    public static final int
    Os
    76
    public static final int
    P
    15
    public static final int
    Pa
    91
    public static final int
    Pb
    82
    public static final int
    Pd
    46
    public static final int
    Pm
    61
    public static final int
    Po
    84
    public static final int
    Pr
    59
    public static final int
    Pt
    78
    public static final int
    Pu
    94
    public static final int
    Ra
    88
    public static final int
    Rb
    37
    public static final int
    Re
    75
    public static final int
    Rf
    104
    public static final int
    Rg
    111
    public static final int
    Rh
    45
    public static final int
    Rn
    86
    public static final int
    Ru
    44
    public static final int
    S
    16
    public static final int
    Sb
    51
    public static final int
    Sc
    21
    public static final int
    Se
    34
    public static final int
    Sg
    106
    public static final int
    Si
    14
    public static final int
    Sm
    62
    public static final int
    Sn
    50
    public static final int
    Sr
    38
    public static final int
    Ta
    73
    public static final int
    Tb
    65
    public static final int
    Tc
    43
    public static final int
    Te
    52
    public static final int
    Th
    90
    public static final int
    Ti
    22
    public static final int
    Tl
    81
    public static final int
    Tm
    69
    public static final int
    Ts
    117
    public static final int
    U
    92
    public static final int
    V
    23
    public static final int
    W
    74
    public static final int
    Xe
    54
    public static final int
    Y
    39
    public static final int
    Yb
    70
    public static final int
    Zn
    30
    public static final int
    Zr
    40
  • chemaxon.core.util.BondTable
    Modifier and Type
    Constant Field
    Value
    public static final int
    DEFAULT_VALUE
    -1

chemaxon.descriptors.*

  • chemaxon.descriptors.CDParameters
    Modifier and Type
    Constant Field
    Value
    public static final int
    BINARY_DESCRIPTOR
    0
    public static final int
    FLOAT_DESCRIPTOR
    2
    public static final int
    INTEGER_DESCRIPTOR
    1
  • chemaxon.descriptors.CFParameters
    Modifier and Type
    Constant Field
    Value
    public static final int
    DEFAULT_BITS_SET
    2
    public static final int
    DEFAULT_BOND_COUNT
    7
    public static final int
    DEFAULT_LENGTH
    1024
  • chemaxon.descriptors.ECFPParameters
    Modifier and Type
    Constant Field
    Value
    public static final int
    DEFAULT_DIAMETER
    4
    public static final int
    DEFAULT_LENGTH
    1024
  • chemaxon.descriptors.MDParameters
    Modifier and Type
    Constant Field
    Value
    public static final float
    DEFAULT_ASYMMETRY_FACTOR
    0.0f
    public static final int
    DEFAULT_OUTPUT_PRECISION
    2
    public static final float
    DEFAULT_SCALE_FACTOR
    1.0f
    public static final float
    DEFAULT_WEIGHT
    1.0f
  • chemaxon.descriptors.MetricsType
    Modifier and Type
    Constant Field
    Value
    public static final String
    SEPARATOR
    ":"
  • chemaxon.descriptors.PFParameters
    Modifier and Type
    Constant Field
    Value
    public static final float
    DEFAULT_FUZZINESS_FACTOR
    1.0f
    public static final float
    DEFAULT_FUZZY_CUTOFF
    10.0f
    public static final int
    DEFAULT_FUZZY_LOWER_BOUND
    1
    public static final int
    DEFAULT_RESOLUTION
    1
    public static final String
    DEFAULT_XML_CONFIG
    "<?xml version=\"1.0\" encoding=\"UTF-8\"?>\n<!-- Pharmacophore configuration file -->\n<PharmacophoreFingerprintConfiguration Version =\"0.3\" schemaLocation=\"pharmacophores.xsd\">\n <PharmacophoreDefinition>\n <Search StereoCareChecking=\"false\"/>\n <Mols>\n <Mol ID=\"pos\" Structure=\"[*+]\"/>\n <Mol ID=\"nitro\" Structure=\"[O:2]~[N:1]=[O:3]\"/>\n <Mol ID=\"amine\" Structure=\"C[N:1]\"/>\n <Mol ID=\"tertamine\" Structure=\"C[N:1](C)C\"/>\n <Mol ID=\"aniline\" Structure=\"c[N:1]\"/>\n <Mol ID=\"amide\" Structure=\"[#7:1][C,P,S:2]=O\"/>\n <Mol ID=\"hydrazine\" Structure=\"NN\"/>\n <Mol ID=\"phenylhydrazine\" Structure=\"c[N:1][N:2]\"/>\n <Mol ID=\"hydrazide\" Structure=\"[#7:1]NC=O\"/>\n <Mol ID=\"amidine\" Structure=\"[#7:2][C,P,S:1]=[N:3]\"/>\n <Mol ID=\"neg\" Structure=\"[*-]\"/>\n <Mol ID=\"carbox\" Structure=\"[H][O:3][C:1]=[O:2]\"/>\n <Mol ID=\"carboxylate\" Structure=\"[O-3][C:1]=[O:2]\"/>\n <Mol ID=\"sulfonyl\" Structure=\"[H][O:3][S:1](=[O:2])=[O:4]\"/>\n <Mol ID=\"sulfonate\" Structure=\"[O-:3][S:1](=[O:4])=[O:2]\"/>\n <Mol ID=\"phosphonyl\" Structure=\"[H][O:4][P:1]([O:2])=[O:3]\"/>\n <Mol ID=\"phosphonate\" Structure=\"[O:4][P:1]([O-:2])=[O:3]\"/>\n <Mol ID=\"arom\" Structure=\"[*;a]\"/>\n <Mol ID=\"cx\" Structure=\"[C,F,Cl,Br,I,At]\"/>\n <Mol ID=\"nos\" Structure=\"[#7,#8,#16]\"/>\n <Mol ID=\"pyr\" Structure=\"[nX3]\"/>\n <Mol ID=\"qh\" Structure=\"[!#1!#6:1][H]\"/>\n </Mols>\n <Pharmacophores>\n <AtomSet ID=\"Aromatic\" Symbol=\"r\">arom</AtomSet>\n <AtomSet ID=\"Cationic\" Symbol=\"+\">\n <![CDATA[ !neg && ((pos && !nitro:1) || ((amine:1 || hydrazine || amidine:2,3) && !(tertamine:1 || amide:1 || nitro:1 || aniline:1 || phenylhydrazine:2))) ]]>\n </AtomSet>\n <AtomSet ID=\"Anionic\" Symbol=\"-\">\n <![CDATA[ !pos && ((neg && !nitro:2,3) || carbox:2,3 || carboxylate:2,3 || sulfonyl:2,3,4 || sulfonate || phosphonyl:2,3,4 || phosphonate) ]]>\n </AtomSet>\n <AtomSet ID=\"HydrogenBondDonor\" Symbol=\"d\">\n <![CDATA[ qh:1 || tertamine:1 && !{Anionic}]]>\n </AtomSet>\n <AtomSet ID=\"HydrogenBondAcceptor\" Symbol=\"a\">\n <![CDATA[ nos && !tertamine:1 && !pyr && !amide:1,2 && !aniline:1 && !sulfonyl:1 && !sulfonate:1 && !{Cationic} && !nitro:1 ]]>\n </AtomSet>\n <AtomSet ID=\"Hydrophobic\" Symbol=\"h\">\n <![CDATA[ cx && !{Aromatic} && !{Cationic} && !{Anionic} && !{HydrogenBondDonor} && !{HydrogenBondAcceptor} ]]>\n </AtomSet>\n </Pharmacophores>\n <PharmacophoreFingerprintParameters MinimalDistance=\"1\" MaximalDistance=\"10\" />\n </PharmacophoreDefinition>\n <StandardizerConfiguration Version =\"0.1\">\n <Actions> \n <Removal ID=\"keepOne\" Method=\"keepLargest\" Measure=\"molMass\"/>\n <Action ID=\"aromatize\" Act=\"aromatize\"/>\n </Actions>\n </StandardizerConfiguration>\n <ScreeningConfiguration>\n <PharmacophorePointColors>\n <Color Symbol=\"+\" Value=\"red\"/>\n <Color Symbol=\"-\" Value=\"blue\"/>\n <Color Symbol=\"r\" Value=\"green\"/>\n <Color Symbol=\"h\" Value=\"black\"/>\n <Color Symbol=\"d\" Value=\"navy\"/>\n <Color Symbol=\"a\" Value=\"maroon\"/>\n <Color Symbol=\"a/d\" Value=\"purple\"/>\n <Color Symbol=\"+/d\" Value=\"lime\"/>\n <Color Symbol=\"-/a\" Value=\"aqua\"/>\n <Color Symbol=\"empty\" Value=\"gray\"/>\n <Color Symbol=\"other\" Value=\"fuchsia\"/>\n </PharmacophorePointColors> \n <ParametrizedMetrics>\n <ParametrizedMetric Name=\"Tanimoto\" ActiveFamily=\"Generic\" \n Metric=\"Tanimoto\" Threshold=\"0.2\"/>\n <ParametrizedMetric Name=\"Euclidean\" ActiveFamily=\"Generic\" \n Metric=\"Euclidean\" Threshold=\"15\" />\n <ParametrizedMetric Name=\"Tversky\" ActiveFamily=\"Generic\"\n Metric=\"Tversky\" Threshold=\"0.5\" TverskyAlpha=\"1\" TverskyBeta=\"1\"/>\n <ParametrizedMetric Name=\"UnityTversky\" ActiveFamily=\"Generic\"\n Metric=\"Tversky\" Threshold=\"0.5\" TverskyAlpha=\"0.\" TverskyBeta=\"0.\"/>\n </ParametrizedMetrics>\n </ScreeningConfiguration>\n</PharmacophoreFingerprintConfiguration>\n"
  • chemaxon.descriptors.RFParameters
    Modifier and Type
    Constant Field
    Value
    public static final int
    DEFAULT_BITS_SET
    2
    public static final int
    DEFAULT_BOND_COUNT
    6
    public static final int
    DEFAULT_LENGTH
    2048
  • chemaxon.descriptors.SimilarityCalculatorFactory
    Modifier and Type
    Constant Field
    Value
    public static final String
    SEPARATOR
    ";"

chemaxon.fixers.*

chemaxon.formats.*

  • chemaxon.formats.recognizer.AbbrevGroupRecognizer
    Modifier and Type
    Constant Field
    Value
    public static final int
    CAN_BE
    1
    public static final int
    NO
    0
    public static final int
    SURE
    2
  • chemaxon.formats.recognizer.PDBRecognizer
    Modifier and Type
    Constant Field
    Value
    public static final int
    CAN_BE
    1
    public static final int
    NO
    0
    public static final int
    SURE
    2

chemaxon.jep.*

chemaxon.license.*

chemaxon.marvin.*

  • chemaxon.marvin.alignment.MinMaxDistance
    Modifier and Type
    Constant Field
    Value
    public static final double
    WEIGHT
    1.0
  • chemaxon.marvin.alignment.Pharmacophore3D
    Modifier and Type
    Constant Field
    Value
    public static final int
    ACCP
    4
    public static final int
    ALIPHATIC_RINGCENTER
    1024
    public static final int
    ANCHOR
    2048
    public static final int
    AROMATIC_ATOM
    8
    public static final int
    AROMATIC_RINGCENTER
    512
    public static final int
    DONR
    1
    public static final int
    H
    256
    public static final int
    HYDR
    16
    public static final int
    LP
    128
    public static final int
    NEG
    64
    public static final int
    POS
    32
  • chemaxon.marvin.io.MRecord
    Modifier and Type
    Constant Field
    Value
    public static final int
    F_MOL_MISSING
    1

chemaxon.naming.*

chemaxon.sss.*

chemaxon.standardizer.*

chemaxon.struc.*

chemaxon.util.*

com.chemaxon.*