// data checked using book Todeschini R., Consonni V. - Molecular Descriptors for Chemoinformatics 2009 atomic properties page 21/22

/* RDF & MORSE values
double Pol[] = {
    0.67,  0,    24.3, 5.60,  3.03, 1.76,  1.10, 0.80, 0.56, 0,    23.6, 10.6,
    6.80,  5.38, 3.63, 2.90,  2.18, 0,     43.4, 22.8, 0,    0,    0,    11.60,
    9.40,  8.40, 7.50, 6.80,  6.10, 7.10,  8.12, 6.07, 4.31, 3.77, 3.05, 0,
    47.3,  27.6, 0,    0,     0,    12.80, 0,    0,    0,    0,    7.20, 7.20,
    10.20, 7.70, 6.60, 5.50,  5.35, 0,     0,    0,    0,    0,    0,    0,
    0,     0,    0,    23.50, 0,    0,     0,    0,    0,    0,    0,    0,
    0,     0,    0,    0,     0,    6.50,  5.80, 5.70, 7.60, 6.80, 7.40};
double ElectroNeg[] = {
    2.59, 0,    0.89, 1.81, 2.28, 2.75, 3.19, 3.65, 4.0,  0,    0.56, 1.32,
    1.71, 2.14, 2.52, 2.96, 3.48, 0,    0.45, 0.95, 0,    0,    0,    1.66,
    2.2,  2.2,  2.56, 1.94, 1.98, 2.23, 2.42, 2.62, 2.82, 3.01, 3.22, 0,
    0.31, 0.72, 0,    0,    0,    1.15, 0,    0,    0,    0,    1.83, 1.98,
    2.14, 2.3,  2.46, 2.62, 2.78, 0,    0,    0,    0,    0,    0,    0,
    0,    0,    0,    2.0,  0,    0,    0,    0,    0,    0,    0,    0,
    0,    0,    0,    0,    0,    2.28, 2.54, 2.2,  2.25, 2.29, 2.34};

double VdW[] = {
    6.71,  0,     25.25, 0.0,   17.88, 22.45, 15.6,  11.49, 9.20,   0,     49.0,
    21.69, 36.51, 31.98, 26.52, 24.43, 22.45, 0,     87.11, 0.0,   0,     0,
    0,     44.6,  43.4,  41.05, 35.04, 17.16, 11.49, 11.25, 27.39, 28.73, 26.52,
    28.73, 31.06, 0,     0.0,   0.0,   0,     0,     0,     33.51, 0,     0,
    0,     0,     21.31, 16.52, 30.11, 45.83, 38.79, 36.62, 32.52, 0,     0,
    0,     0,     0,     0,     0,     0,     0,     0,     72.78, 0,     0,
    0,     0,     0,     0,     0,     0,     0,     0,     0,     0,     0,
    22.45, 19.16, 15.6,  31.54, 34.53, 38.79};

double  IonPolarizability[] = {
  13.598, 0, 5.392, 9.323, 8.298, 11.26, 14.534, 13.618, 17.423, 0, 5.139, 7.646,
  5.986, 8.152, 10.487, 10.360, 12.968, 0, 4.341, 6.113, 0, 0, 0, 6.767, 7.434,
  7.902, 7.881, 7.640, 7.723, 9.394, 5.999, 7.900, 9.815, 9.752, 11.814, 0, 4.177,
  5.695, 0, 0, 0, 7.092, 0, 0, 0, 0, 7.576, 8.994, 5.786, 7.344, 8.640, 9.010,
  10.451, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6.15, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0,
  0, 0, 0, 9.000, 9.226, 10.438, 6.108, 7.417, 7.289};
*/


// NEW
double Data3Ddescriptors::mw[53]={0.084,0,0,0,0.900,1.000,1.166,1.332,1.582,0,0,0, 2.246, 2.339, 2.579,2.670, 2.952,0,0,0,0,0,0,0,0, 4.650, 4.907, 4.887, 5.291, 5.445,0,0,0,0, 6.653,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 9.884,0,0, 10.56};
double Data3Ddescriptors::vdW[53]={0.299,0,0,0,0.796,1.000,0.695,0.512,0.410,0,0,0, 1.626, 1.424, 1.181,1.088, 1.035,0,0,0,0,0,0,0,0, 1.829, 1.561, 0.764, 0.512, 1.708,0,0,0,0, 1.384,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 2.042,0,0, 1.728};
double Data3Ddescriptors::neg[53]={0.944,0,0,0,0.828,1.000,1.163,1.331,1.457,0,0,0, 0.624, 0.779, 0.916,1.077, 1.265,0,0,0,0,0,0,0,0, 0.728, 0.728, 0.728, 0.740, 0.810,0,0,0,0, 1.172,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 0.837,0,0, 1.012};
double Data3Ddescriptors::pol[53]={0.379,0,0,0,1722,1.000,0.625,0.456,0.316,0,0,0, 3.864, 3.057, 2.063,1.648, 1.239,0,0,0,0,0,0,0,0, 4.773, 4.261, 3.864, 3.466, 4.034,0,0,0,0, 1.733,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 4.375,0,0, 3.040};
double Data3Ddescriptors::ionpol[83]={1.208,0,0.479,0.828,0.737,1,1.291,1.209,1.547,0,0.456,0.679,0.532,0.724,0.931,0.92,1.152,0,0.386,0.543,0,0,0,0.601,0.66,0.702,0.7,0.679,0.686,0.834,0.533,0.702,0.872,0.866,1.049,0,0.371,0.506,0,0,0,0.63,0,0,0,0,0.673,0.799,0.514,0.652,0.767,0.8,0.928,0,0,0,0,0,0,0,0,0,0,0.546,0,0,0,0,0,0,0,0,0,0,0,0,0,0.799,0.819,0.927,0.542,0.659,0.647};
double Data3Ddescriptors::rcov[83]={0.37,0,1.34,0.90,0.82,0.77,0.73,0.71,0,1.54,1.30,1.18,1.11,1.06,1.02,0.99,0,1.96,1.74,0,0,0,1.27,1.39,1.25,1.26,1.21,1.38,1.31,1.26,1.22,1.19,1.16,1.14,0,2.11,1.92,0,0,0,1.45,0,0,0,0,1.53,1.48,1.44,1.41,1.38,1.35,1.33,0,0,0,0,0,0,0,0,0,0,1.79,0,0,0,0,0,0,0,0,0,0,0,0,0,1.28,1.44,1.49,1.48,1.47, 1.46};

// WHIM values
double relativeMw[]={0.084,0,0,0,0.900,1.000,1.166,1.332,1.582,0,0,0, 2.246, 2.339, 2.579,2.670, 2.952,0,0,0,0,0,0,0,0, 4.650, 4.907, 4.887, 5.291, 5.445,0,0,0,0, 6.653,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 9.884,0,0, 10.56};
double relativeVdW[]={0.299,0,0,0,0.796,1.000,0.695,0.512,0.410,0,0,0, 1.626, 1.424, 1.181,1.088, 1.035,0,0,0,0,0,0,0,0, 1.829, 1.561, 0.764, 0.512, 1.708,0,0,0,0, 1.384,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 2.042,0,0, 1.728};
double relativeNeg[]={0.944,0,0,0,0.828,1.000,1.163,1.331,1.457,0,0,0, 0.624, 0.779, 0.916,1.077, 1.265,0,0,0,0,0,0,0,0, 0.728, 0.728, 0.728, 0.740, 0.810,0,0,0,0, 1.172,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 0.837,0,0, 1.012};
double relativePol[]={0.379,0,0,0,1722,1.000,0.625,0.456,0.316,0,0,0, 3.864, 3.057, 2.063,1.648, 1.239,0,0,0,0,0,0,0,0, 4.773, 4.261, 3.864, 3.466, 4.034,0,0,0,0, 1.733,0,0,0,0,0,0,0,0,0,0,0,0,0,0, 4.375,0,0, 3.040};
double relativeIonPol[]={1.208,0,0.479,0.828,0.737,1,1.291,1.209,1.547,0,0.456,0.679,0.532,0.724,0.931,0.92,1.152,0,0.386,0.543,0,0,0,0.601,0.66,0.702,0.7,0.679,0.686,0.834,0.533,0.702,0.872,0.866,1.049,0,0.371,0.506,0,0,0,0.63,0,0,0,0,0.673,0.799,0.514,0.652,0.767,0.8,0.928,0,0,0,0,0,0,0,0,0,0,0.546,0,0,0,0,0,0,0,0,0,0,0,0,0,0.799,0.819,0.927,0.542,0.659,0.647};