rust-sasa 0.9.2

RustSASA is a Rust library for computing the absolute solvent accessible surface area (ASA/SASA) of each atom in a given protein structure using the Shrake-Rupley algorithm.
Documentation
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// Copyright (c) 2024 Maxwell Campbell. Licensed under the MIT License.
#[cfg(test)]
#[allow(dead_code)]
pub const FIXED_LOW_RES_ATOMS: [f32; 2622] = [
    48.24325, 2.5255642, 3.7883465, 12.627821, 16.90931, 20.204514, 50.32727, 66.92745, 2.3533294,
    7.576693, 0.0, 31.569553, 8.454655, 37.883465, 25.255642, 1.1766647, 0.0, 0.0, 17.67895,
    16.90931, 27.781206, 23.99286, 1.1766647, 2.5255642, 0.0, 6.3139105, 0.0, 8.839475, 38.045948,
    42.273277, 3.529994, 6.3139105, 0.0, 27.781206, 1.0568318, 2.5255642, 26.518425, 2.5255642,
    2.5255642, 8.839475, 22.356628, 21.467297, 18.941732, 18.941732, 0.0, 1.2627821, 0.0, 7.576693,
    0.0, 0.0, 21.467297, 5.0511284, 32.94661, 0.0, 0.0, 1.2627821, 0.0, 0.0, 5.2841597, 0.0,
    1.2627821, 2.5255642, 23.99286, 0.0, 14.795647, 0.0, 0.0, 1.2627821, 8.839475, 4.2273273,
    1.2627821, 31.569553, 56.825195, 0.0, 0.0, 0.0, 0.0, 0.0, 3.7883465, 1.2627821, 2.5255642, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 2.5255642, 36.62068, 0.0, 0.0, 0.0, 11.365039, 0.0, 16.416168,
    29.924324, 50.511284, 0.0, 3.7883465, 0.0, 21.467297, 1.0568318, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 3.7883465, 7.3978233, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0568318, 3.7883465, 27.781206,
    26.518425, 0.0, 0.0, 0.0, 0.0, 0.0, 15.153386, 34.095116, 40.409027, 0.0, 0.0, 0.0, 0.0, 0.0,
    3.7883465, 1.2627821, 3.7883465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.839475, 0.0, 25.255642,
    2.5255642, 16.416168, 0.0, 1.2627821, 0.0, 10.102257, 15.852478, 0.0, 42.934593, 49.2485, 0.0,
    3.7883465, 0.0, 10.102257, 7.3978233, 44.197372, 3.1704955, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 5.0511284, 34.095116, 0.0, 2.5255642, 1.2627821, 32.832336, 5.2841597,
    31.569553, 0.0, 1.1766647, 2.5255642, 0.0, 12.627821, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 0.0, 7.576693, 1.0568318, 0.0, 37.883465, 32.832336, 2.3533294, 0.0, 0.0,
    3.7883465, 1.0568318, 0.0, 27.781206, 15.153386, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 2.5255642, 3.7883465, 34.095116, 0.0, 5.0511284, 2.5255642, 11.365039, 15.852478,
    17.67895, 16.416168, 14.119976, 52.949905, 60.0099, 10.102257, 1.1766647, 7.576693, 0.0, 0.0,
    3.1704955, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.2627821, 0.0,
    1.2627821, 0.0, 21.467297, 23.99286, 2.3533294, 25.255642, 2.5255642, 12.681982, 0.0, 0.0, 0.0,
    0.0, 1.0568318, 0.0, 2.5255642, 4.706659, 11.766646, 16.473305, 3.7883465, 0.0, 0.0, 0.0,
    1.2627821, 11.625152, 30.306772, 0.0, 0.0, 5.0511284, 1.2627821, 12.627821, 29.591293,
    21.467297, 18.941732, 9.413318, 50.59658, 50.59658, 5.0511284, 0.0, 0.0, 0.0, 2.5255642,
    5.2841597, 12.627821, 5.0511284, 44.713257, 31.704956, 0.0, 10.102257, 0.0, 29.04399,
    25.363964, 40.409027, 22.730078, 2.3533294, 0.0, 0.0, 10.102257, 8.454655, 11.365039,
    10.102257, 60.0099, 36.989117, 0.0, 2.5255642, 0.0, 0.0, 1.0568318, 6.3139105, 5.0511284, 0.0,
    0.0, 0.0, 11.365039, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.5255642, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    6.3139105, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.7883465, 0.0, 6.3139105, 14.119976, 0.0, 0.0,
    0.0, 0.0, 1.0568318, 1.2627821, 13.890603, 3.7883465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    1.2627821, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.2627821,
    1.2627821, 29.04399, 0.0, 1.2627821, 0.0, 5.0511284, 0.0, 1.0568318, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.7883465, 4.2273273, 0.0,
    40.409027, 31.569553, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 7.576693, 0.0, 0.0, 6.3139105, 3.7883465, 1.1766647, 1.2627821, 0.0, 3.7883465, 0.0,
    0.0, 35.3579, 8.839475, 0.0, 0.0, 0.0, 0.0, 0.0, 1.2627821, 0.0, 1.2627821, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 1.2627821, 0.0, 1.2627821, 0.0, 8.839475, 9.511487, 0.0, 42.934593, 49.2485,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.5255642, 25.255642, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.2627821,
    0.0, 0.0, 1.2627821, 0.0, 27.781206, 1.0568318, 15.153386, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    1.2627821, 0.0, 20.204514, 18.941732, 35.3579, 0.0, 0.0, 0.0, 0.0, 1.0568318, 0.0, 3.7883465,
    0.0, 10.589982, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 23.99286, 10.102257, 0.0, 0.0, 0.0, 0.0, 0.0,
    18.941732, 30.306772, 39.146244, 1.1766647, 1.2627821, 0.0, 0.0, 0.0, 0.0, 1.2627821, 0.0,
    8.454655, 0.0, 0.0, 0.0, 0.0, 3.1704955, 0.0, 3.7883465, 1.2627821, 31.569553, 30.648125, 0.0,
    6.3139105, 1.2627821, 0.0, 1.0568318, 11.625152, 0.0, 0.0, 0.0, 12.627821, 14.795647,
    5.0511284, 32.94661, 2.1136637, 0.0, 0.0, 1.2627821, 13.890603, 7.3978233, 0.0, 6.3139105,
    15.153386, 13.890603, 10.102257, 1.2627821, 0.0, 1.2627821, 0.0, 3.7883465, 1.0568318,
    6.3139105, 1.2627821, 7.059988, 42.35993, 47.066586, 5.0511284, 0.0, 0.0, 0.0, 0.0, 7.3978233,
    0.0, 0.0, 0.0, 0.0, 2.5255642, 0.0, 0.0, 0.0, 1.2627821, 4.706659, 3.7883465, 2.5255642,
    22.730078, 32.76179, 2.5255642, 22.730078, 15.153386, 31.569553, 8.839475, 21.136639,
    3.7883465, 0.0, 1.2627821, 1.2627821, 0.0, 4.2273273, 6.3139105, 2.5255642, 50.511284,
    1.1766647, 10.102257, 0.0, 16.416168, 0.0, 40.409027, 11.365039, 7.059988, 0.0, 0.0, 12.627821,
    1.0568318, 5.0511284, 0.0, 1.0568318, 26.4208, 2.3533294, 0.0, 0.0, 7.576693, 0.0, 10.102257,
    27.781206, 65.66467, 0.0, 0.0, 0.0, 0.0, 0.0, 8.839475, 30.306772, 0.0, 0.0, 0.0, 0.0, 0.0,
    2.7203932, 0.0, 0.0, 0.0, 11.365039, 1.0568318, 0.0, 0.0, 1.2627821, 12.627821, 5.2841597, 0.0,
    42.934593, 45.460155, 1.1766647, 0.0, 0.0, 0.0, 0.0, 0.0, 2.1136637, 0.0, 0.0, 0.0, 2.5255642,
    0.0, 0.0, 1.1766647, 5.0511284, 0.0, 0.0, 0.0, 0.0, 5.0511284, 0.0, 16.416168, 0.0, 7.576693,
    0.0, 5.0511284, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    2.5255642, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 9.511487, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    2.5255642, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 3.7883465, 1.0568318, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 2.1136637, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.2841597, 0.0, 0.0,
    0.0, 0.0, 10.102257, 0.0, 16.416168, 0.0, 29.04399, 0.0, 1.2627821, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.7883465, 0.0, 1.1766647,
    8.839475, 0.0, 1.0568318, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 3.7883465, 26.518425, 36.62068, 0.0, 0.0, 1.2627821, 0.0, 2.1136637,
    3.7883465, 0.0, 20.079805, 1.0568318, 0.0, 2.5255642, 0.0, 0.0, 2.1136637, 0.0, 6.3139105, 0.0,
    40.0066, 1.1766647, 2.5255642, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.5255642, 0.0, 13.890603, 0.0,
    17.966143, 0.0, 0.0, 0.0, 0.0, 2.5255642, 0.0, 0.0, 29.04399, 29.04399, 0.0, 6.3139105,
    1.2627821, 20.079805, 0.0, 2.5255642, 0.0, 0.0, 7.3978233, 1.2627821, 10.102257, 0.0,
    2.5255642, 0.0, 5.0511284, 23.250303, 0.0, 2.5255642, 1.2627821, 3.7883465, 0.0, 0.0,
    10.102257, 3.7883465, 30.306772, 8.839475, 29.04399, 0.0, 0.0, 1.2627821, 27.781206, 6.340991,
    30.306772, 7.576693, 1.1766647, 3.7883465, 0.0, 6.3139105, 1.0568318, 40.409027, 55.562412,
    0.0, 0.0, 1.2627821, 11.365039, 2.1136637, 22.730078, 6.3139105, 60.0099, 19.022974, 1.1766647,
    2.5255642, 0.0, 0.0, 0.0, 0.0, 6.3139105, 8.839475, 15.153386, 3.7883465, 8.454655, 0.0, 0.0,
    1.2627821, 1.2627821, 5.0511284, 17.966143, 17.67895, 27.781206, 36.62068, 63.539894, 0.0,
    2.5255642, 2.5255642, 10.102257, 31.704956, 3.7883465, 37.883465, 61.876324, 1.1766647,
    3.7883465, 0.0, 27.781206, 5.2841597, 22.19347, 0.0, 1.2627821, 1.2627821, 1.2627821,
    21.136639, 2.5255642, 8.839475, 2.3533294, 54.12657, 20.0033, 5.0511284, 0.0, 1.2627821, 0.0,
    2.5255642, 0.0, 11.365039, 7.576693, 14.119976, 51.773247, 63.539894, 11.365039, 0.0, 0.0, 0.0,
    3.7883465, 0.0, 30.306772, 15.153386, 2.3533294, 1.2627821, 0.0, 10.102257, 0.0, 0.0,
    39.146244, 47.98572, 0.0, 0.0, 1.2627821, 6.3139105, 4.2273273, 1.2627821, 16.416168, 7.576693,
    30.306772, 0.0, 30.648125, 6.3139105, 0.0, 1.2627821, 0.0, 0.0, 0.0, 1.2627821, 0.0, 0.0, 0.0,
    32.832336, 27.781206, 0.0, 1.2627821, 0.0, 0.0, 0.0, 12.627821, 36.62068, 31.569553, 0.0,
    6.3139105, 0.0, 27.781206, 5.2841597, 0.0, 0.0, 0.0, 8.839475, 0.0, 0.0, 0.0, 1.2627821,
    10.102257, 7.3978233, 1.2627821, 39.146244, 51.774067, 0.0, 5.0511284, 0.0, 0.0, 0.0,
    32.832336, 40.409027, 1.1766647, 0.0, 0.0, 3.7883465, 0.0, 0.0, 0.0, 2.5255642, 11.365039, 0.0,
    1.2627821, 7.576693, 2.5255642, 3.7883465, 10.102257, 4.706659, 8.839475, 1.2627821, 8.839475,
    2.3533294, 30.306772, 7.576693, 5.2841597, 1.1766647, 1.2627821, 0.0, 0.0, 0.0, 3.7883465,
    43.52629, 16.416168, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.5255642, 12.627821, 0.0,
    3.7883465, 16.416168, 0.0, 20.204514, 0.0, 0.0, 2.3533294, 22.730078, 5.0511284, 7.3978233,
    0.0, 0.0, 0.0, 0.0, 0.0, 1.2627821, 5.0511284, 1.1766647, 11.365039, 15.29664, 0.0, 0.0, 0.0,
    1.2627821, 0.0, 1.3601966, 0.0, 0.0, 0.0, 3.7883465, 0.0, 39.146244, 13.738814, 0.0, 0.0,
    1.2627821, 0.0, 0.0, 13.890603, 17.67895, 39.146244, 0.0, 3.7883465, 1.2627821, 2.5255642,
    1.0568318, 10.102257, 12.627821, 1.1766647, 0.0, 0.0, 0.0, 0.0, 2.5255642, 23.99286, 17.67895,
    0.0, 2.5255642, 0.0, 0.0, 1.0568318, 15.153386, 35.3579, 40.409027, 0.0, 0.0, 0.0, 2.5255642,
    0.0, 6.3139105, 17.67895, 0.0, 0.0, 1.2627821, 1.2627821, 1.0568318, 12.627821, 0.0, 5.883323,
    3.1704955, 1.1766647, 0.0, 0.0, 7.576693, 1.0568318, 3.7883465, 22.730078, 5.0511284,
    31.569553, 8.839475, 45.44377, 5.0511284, 1.1766647, 1.2627821, 0.0, 6.3139105, 11.625152,
    2.5255642, 34.095116, 58.08798, 0.0, 0.0, 1.2627821, 0.0, 0.0, 0.0, 14.119976, 4.2273273,
    1.1766647, 2.5255642, 2.5255642, 3.7883465, 1.0568318, 16.416168, 8.454655, 1.1766647,
    5.0511284, 0.0, 5.0511284, 5.2841597, 59.35076, 21.136639, 0.0, 0.0, 1.2627821, 7.576693,
    9.511487, 12.627821, 8.839475, 33.81862, 45.44377, 1.1766647, 2.5255642, 2.5255642, 5.0511284,
    3.1704955, 16.416168, 7.576693, 22.356628, 8.454655, 1.1766647, 10.102257, 0.0, 40.409027,
    32.76179, 0.0, 3.7883465, 1.2627821, 12.627821, 34.87545, 15.153386, 17.67895, 17.64997,
    35.29994, 60.0099, 7.576693, 0.0, 2.5255642, 5.0511284, 26.518425, 30.648125, 35.932285,
    4.706659, 27.781206, 5.0511284, 11.625152, 5.883323, 6.3139105, 3.7883465, 21.467297,
    31.704956, 7.576693, 57.656567, 38.045948, 0.0, 1.2627821, 0.0, 15.153386, 11.625152,
    15.153386, 10.102257, 4.2273273, 39.10278, 1.1766647, 2.5255642, 0.0, 0.0, 1.0568318,
    13.890603, 8.839475, 39.146244, 1.1766647, 0.0, 0.0, 1.2627821, 14.795647, 31.569553,
    1.0568318, 1.1766647, 0.0, 0.0, 0.0, 8.454655, 0.0, 4.706659, 3.7883465, 0.0, 1.2627821,
    4.2273273, 0.0, 6.3139105, 0.0, 0.0, 1.2627821, 6.340991, 0.0, 1.1766647, 1.2627821, 0.0,
    7.576693, 21.136639, 15.153386, 10.102257, 22.19347, 33.81862, 3.529994, 2.5255642, 3.7883465,
    3.7883465, 3.1704955, 3.7883465, 23.533293, 32.76179, 2.3533294, 0.0, 2.5255642, 0.0,
    23.250303, 0.0, 0.0, 5.0511284, 2.5255642, 2.5255642, 5.0511284, 0.0, 5.0511284, 0.0,
    10.102257, 0.0, 55.562412, 8.454655, 5.883323, 1.2627821, 2.5255642, 25.255642, 5.2841597,
    5.0511284, 31.704956, 47.557438, 0.0, 0.0, 1.2627821, 18.941732, 8.454655, 3.7883465,
    32.832336, 20.0033, 42.934593, 30.59328, 0.0, 3.7883465, 0.0, 0.0, 0.0, 17.67895, 0.0,
    15.29664, 0.0, 0.0, 0.0, 0.0, 1.2627821, 0.0, 0.0, 13.890603, 10.102257, 0.0, 0.0, 0.0,
    11.365039, 15.852478, 6.3139105, 9.511487, 34.87545, 0.0, 2.5255642, 0.0, 5.0511284, 1.0568318,
    37.883465, 45.460155, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0511284, 3.7883465, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 6.3139105, 0.0, 1.2627821, 2.5255642, 30.306772, 5.2841597, 18.941732, 0.0, 0.0, 0.0,
    0.0, 0.0, 1.0568318, 8.839475, 27.781206, 0.0, 0.0, 0.0, 1.2627821, 0.0, 5.0511284, 1.2627821,
    2.3533294, 12.943312, 2.3533294, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 12.627821, 34.095116,
    1.1766647, 1.2627821, 0.0, 5.0511284, 0.0, 13.890603, 10.102257, 27.477629, 29.591293, 0.0,
    0.0, 0.0, 0.0, 0.0, 1.2627821, 8.839475, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    11.365039, 1.0568318, 0.0, 44.197372, 32.832336, 0.0, 0.0, 0.0, 0.0, 0.0, 11.365039, 26.518425,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0511284, 0.0,
    2.5255642, 0.0, 0.0, 1.2627821, 11.365039, 3.1704955, 1.2627821, 13.890603, 0.0, 25.255642,
    1.2627821, 13.890603, 0.0, 2.5255642, 0.0, 0.0, 0.0, 20.204514, 22.730078, 37.883465, 0.0,
    1.2627821, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.16118, 23.99286, 0.0,
    3.7883465, 3.7883465, 42.934593, 4.2273273, 1.1766647, 3.7883465, 0.0, 0.0, 0.0, 7.576693,
    35.3579, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0568318, 1.2627821,
    44.197372, 31.569553, 0.0, 3.7883465, 0.0, 12.627821, 0.0, 2.5255642, 10.102257, 25.255642,
    17.67895, 26.518425, 22.730078, 0.0, 0.0, 0.0, 0.0, 0.0, 6.8009825, 0.0, 0.0, 2.5255642,
    1.2627821, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0568318, 0.0, 2.3533294, 5.0511284, 0.0, 3.7883465,
    2.1136637, 3.7883465, 8.839475, 3.7883465, 2.5255642, 26.518425, 21.179964, 39.146244,
    26.518425, 35.3579, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 3.7883465, 2.3533294, 40.0066, 48.24325,
    3.7883465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.5255642, 10.102257, 0.0, 0.0, 0.0,
    2.5255642, 0.0, 20.204514, 6.3139105, 2.3533294, 1.2627821, 0.0, 1.2627821, 0.0, 0.0,
    5.0511284, 0.0, 3.7883465, 17.67895, 18.826635, 40.409027, 32.832336, 35.3579, 0.0, 1.2627821,
    0.0, 0.0, 0.0, 10.102257, 11.365039, 6.3139105, 0.0, 0.0, 0.0, 1.2627821, 0.0, 0.0, 6.8009825,
    27.781206, 0.0, 0.0, 1.2627821, 13.890603, 12.681982, 0.0, 39.146244, 20.204514, 1.1766647,
    8.839475, 0.0, 25.255642, 23.250303, 12.681982, 0.0, 1.2627821, 0.0, 2.5255642, 0.0, 15.153386,
    6.3139105, 44.713257, 21.136639, 0.0, 3.7883465, 1.2627821, 35.3579, 27.477629, 22.730078,
    15.153386, 0.0, 5.0511284, 2.5255642, 22.730078, 28.53446, 5.0511284, 39.146244, 11.766646,
    34.095116, 30.59328, 0.0, 2.5255642, 0.0, 0.0, 4.2273273, 0.0, 10.102257, 7.059988, 37.883465,
    1.2627821, 0.0, 12.943312, 1.2627821, 0.0, 55.562412, 1.0568318, 5.883323, 1.2627821, 0.0,
    20.204514, 1.0568318, 13.890603, 5.0511284, 43.53659, 34.87545, 0.0, 1.2627821, 0.0, 2.5255642,
    4.2273273, 13.890603, 17.67895, 32.832336, 64.71656, 0.0, 0.0, 1.2627821, 5.0511284, 0.0, 0.0,
    7.576693, 0.0, 40.0066, 9.413318, 2.5255642, 0.0, 3.7883465, 0.0, 13.890603, 7.3978233,
    18.941732, 21.467297, 11.766646, 52.949905, 58.833233, 5.0511284, 0.0, 0.0, 1.2627821,
    7.576693, 0.0, 7.576693, 8.839475, 4.706659, 31.769947, 9.413318, 0.0, 2.3533294, 1.2627821,
    0.0, 3.7883465, 0.0, 0.0, 0.0, 0.0, 1.2627821, 0.0, 40.409027, 15.153386, 0.0, 12.627821, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0511284, 0.0, 0.0, 0.0, 7.576693, 0.0, 0.0,
    1.2627821, 0.0, 2.5255642, 1.0568318, 34.095116, 32.832336, 0.0, 1.2627821, 0.0, 0.0, 0.0,
    2.5255642, 13.890603, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.0511284, 0.0, 0.0,
    41.67181, 7.576693, 1.1766647, 0.0, 0.0, 6.3139105, 0.0, 2.5255642, 36.62068, 40.409027, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.2627821, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 6.3139105, 16.90931, 2.5255642, 44.197372, 44.197372, 0.0, 3.7883465, 0.0,
    1.2627821, 0.0, 22.730078, 31.569553, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 6.3139105, 3.7883465, 0.0, 1.1766647, 5.0511284, 0.0,
    3.7883465, 0.0, 18.941732, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 5.2841597,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.3533294, 0.0, 1.1766647, 0.0, 0.0, 1.2627821, 0.0,
    22.730078, 37.883465, 0.0, 0.0, 0.0, 0.0, 1.0568318, 0.0, 0.0, 3.7883465, 0.0, 0.0, 1.0568318,
    0.0, 0.0, 0.0, 0.0, 3.529994, 0.0, 1.2627821, 1.2627821, 8.839475, 5.2841597, 3.7883465, 0.0,
    44.197372, 0.0, 1.2627821, 0.0, 0.0, 0.0, 6.3139105, 29.04399, 0.0, 5.0511284, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 3.1704955, 0.0, 10.102257, 0.0, 26.518425, 1.2627821, 43.33011, 0.0, 0.0,
    2.5255642, 0.0, 10.102257, 22.19347, 2.5255642, 22.730078, 23.533293, 40.409027, 31.769947,
    0.0, 6.3139105, 2.5255642, 6.3139105, 14.795647, 8.839475, 5.0511284, 41.18326, 30.648125, 0.0,
    0.0, 0.0, 15.153386, 9.511487, 22.730078, 2.5255642, 12.943312, 4.706659, 48.24325, 2.5255642,
    0.0, 2.5255642, 2.5255642, 10.102257, 1.0568318, 6.3139105, 27.781206, 34.095116, 61.18656,
    9.413318, 2.5255642, 0.0, 29.04399, 21.136639, 15.852478, 0.0, 8.839475, 0.0, 2.5255642,
    4.2273273, 0.0, 1.2627821, 1.1766647, 10.102257, 1.2627821, 23.99286, 10.568319, 3.7883465,
    29.04399, 1.2627821, 5.0511284, 0.0, 24.709959, 27.781206, 30.306772, 2.5255642, 0.0, 0.0, 0.0,
    6.3139105, 0.0, 2.5255642, 5.0511284, 2.5255642, 2.5255642, 17.67895, 9.413318, 13.890603,
    10.102257, 18.941732, 0.0, 0.0, 0.0, 1.2627821, 0.0, 1.2627821, 5.0511284, 10.589982,
    2.3533294, 0.0, 0.0, 0.0, 3.7883465, 0.0, 12.627821, 2.1136637, 15.852478, 0.0, 1.2627821, 0.0,
    0.0, 0.0, 7.576693, 26.518425, 21.467297, 1.1766647, 1.2627821, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    1.2627821, 0.0, 7.576693, 6.3139105, 0.0, 0.0, 0.0, 0.0, 0.0, 13.890603, 0.0, 0.0, 1.2627821,
    0.0, 0.0, 0.0, 0.0, 2.5255642, 0.0, 26.518425, 18.941732, 36.62068, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.2627821, 0.0, 0.0, 27.781206, 26.518425,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 7.576693,
    15.852478, 0.0, 0.0, 0.0, 0.0, 1.2627821, 0.0, 0.0, 13.890603, 34.095116, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 1.2627821, 6.3139105, 1.0568318, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 32.832336, 49.2485, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 2.5255642, 0.0, 2.5255642, 2.5255642, 7.576693,
    17.67895, 13.890603, 36.989117, 7.576693, 0.0, 0.0, 0.0, 0.0, 11.625152, 0.0, 0.0, 0.0,
    17.67895, 6.3139105, 27.781206, 0.0, 1.2627821, 1.2627821, 0.0, 14.795647, 0.0, 0.0, 1.2627821,
    1.2627821, 0.0, 0.0, 1.0568318, 7.059988, 0.0, 0.0, 18.941732, 0.0, 23.250303, 0.0, 0.0, 0.0,
    0.0, 0.0, 13.890603, 20.204514, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    4.2273273, 12.627821, 12.627821, 14.119976, 2.3533294, 14.119976, 0.0, 0.0, 6.3139105, 0.0,
    3.7883465, 2.1136637, 18.941732, 15.153386, 14.119976, 42.35993, 55.303238, 3.7883465, 0.0,
    0.0, 0.0, 10.102257, 2.1136637, 0.0, 0.0, 1.2627821, 3.7883465, 5.2841597, 0.0, 25.255642, 0.0,
    16.416168, 1.2627821, 0.0, 1.1766647, 25.255642, 1.2627821, 2.1136637, 1.1766647, 0.0,
    1.2627821, 13.890603, 1.0568318, 15.153386, 27.781206, 2.3533294, 51.773247, 37.65327,
    5.0511284, 2.3533294, 21.467297, 1.2627821, 2.1136637, 1.1766647, 0.0, 1.2627821, 2.5255642,
    1.0568318, 6.3139105, 46.72294, 65.66467, 1.1766647, 0.0, 1.2627821, 6.3139105, 0.0, 7.576693,
    3.7883465, 56.479904, 25.363964, 1.1766647, 2.5255642, 0.0, 2.5255642, 1.0568318, 30.306772,
    45.460155, 0.0, 0.0, 2.5255642, 7.576693, 9.511487, 3.7883465, 44.197372, 45.460155, 2.3533294,
    8.839475, 0.0, 5.0511284, 2.1136637, 15.153386, 26.518425, 2.3533294, 52.949905, 37.65327,
    7.576693, 0.0, 1.2627821, 2.5255642, 20.204514, 6.340991, 6.3139105, 49.419918, 19.022974, 0.0,
    1.2627821, 0.0, 8.839475, 0.0, 18.941732, 6.3139105, 51.773247, 20.079805, 2.3533294,
    21.467297, 1.2627821, 1.0568318, 1.1766647, 3.7883465, 2.5255642, 25.255642, 11.625152,
    30.648125, 1.1766647, 7.576693, 1.2627821, 34.095116, 7.3978233, 15.852478, 0.0, 3.7883465,
    1.2627821, 10.102257, 6.340991, 16.416168, 55.768055, 55.562412, 0.0, 0.0, 2.5255642, 7.576693,
    7.3978233, 8.839475, 47.98572, 56.825195, 1.1766647, 27.781206, 7.576693, 12.681982, 1.1766647,
    2.5255642, 0.0, 5.0511284, 0.0, 13.890603, 20.204514, 20.0033, 52.949905, 57.656567, 7.576693,
    2.3533294, 2.5255642, 0.0, 5.0511284, 0.0, 15.153386, 23.99286, 16.473305, 49.419918,
    58.833233, 7.576693, 1.1766647, 29.04399, 5.0511284, 10.568319, 1.1766647, 2.5255642, 0.0,
    2.5255642, 0.0, 15.153386, 25.255642, 35.3579, 65.89322, 0.0, 3.7883465, 1.2627821, 18.941732,
    13.738814, 7.576693, 24.307135, 26.4208, 0.0, 5.0511284, 1.2627821, 3.7883465, 2.1136637,
    55.562412, 19.022974, 0.0, 6.3139105, 2.5255642, 42.934593, 3.1704955, 0.0, 0.0, 0.0,
    12.627821, 2.1136637, 23.99286, 7.576693, 46.500607, 21.136639, 2.3533294, 21.467297,
    2.5255642, 15.852478, 0.0, 1.2627821, 0.0, 6.3139105, 2.1136637, 49.2485, 17.966143, 0.0, 0.0,
    1.2627821, 11.365039, 11.625152, 6.3139105, 56.479904, 30.648125, 0.0, 2.5255642, 2.5255642,
    11.365039, 10.568319, 23.99286, 11.365039, 47.557438, 32.76179, 0.0, 1.2627821, 0.0, 10.102257,
    25.363964, 11.365039, 41.216446, 48.61427, 0.0, 3.7883465, 2.5255642, 11.365039, 28.53446,
    20.204514, 12.627821, 15.29664, 47.066586, 58.833233, 6.3139105, 0.0, 27.781206, 1.2627821,
    35.932285, 0.0, 2.5255642, 3.7883465, 7.576693, 19.022974, 53.03685, 41.67181, 0.0, 6.3139105,
    3.7883465, 31.569553, 15.852478, 38.045948, 9.413318, 3.7883465, 2.5255642, 12.627821,
    35.932285, 22.730078, 8.839475, 60.0099, 36.989117, 12.943312, 27.781206, 3.7883465, 38.045948,
    8.236652, 2.5255642, 1.2627821, 18.941732, 33.81862, 26.518425, 11.365039, 47.557438,
    42.273277, 9.413318, 27.781206, 5.0511284, 36.989117, 7.059988, 3.7883465, 2.5255642,
    21.467297, 26.4208, 22.730078, 38.085503, 63.139107, 0.0, 7.576693, 3.7883465, 35.3579,
    24.307135, 36.62068, 1.2627821, 4.706659, 8.839475, 3.7883465, 25.255642, 38.045948, 28.53446,
    5.883323, 12.627821, 5.0511284, 11.365039, 23.250303, 29.591293, 12.943312, 5.0511284,
    3.7883465, 8.839475, 24.307135, 6.3139105, 38.045948, 41.216446, 15.29664, 2.5255642,
    3.7883465, 15.153386, 30.648125, 2.5255642, 17.67895, 11.365039, 26.518425, 31.569553,
    31.569553, 4.706659, 10.102257, 1.2627821, 0.0, 12.681982, 56.825195, 3.1704955, 15.29664,
    2.5255642, 5.0511284, 1.2627821, 27.477629, 39.146244, 29.591293, 12.943312, 5.0511284,
    10.102257, 18.941732, 34.87545, 11.365039, 12.627821, 52.8416, 46.500607, 47.557438,
];

#[cfg(test)]
#[allow(dead_code)]
pub const FIXED_HIGH_RES_ATOMS: [f32; 2622] = [
    48.24325, 2.5255642, 3.7883465, 12.627821, 16.90931, 20.204514, 50.32727, 66.92745, 2.3533294,
    7.576693, 0.0, 31.569553, 8.454655, 37.883465, 25.255642, 1.1766647, 0.0, 0.0, 17.67895,
    16.90931, 27.781206, 23.99286, 1.1766647, 2.5255642, 0.0, 6.3139105, 0.0, 8.839475, 38.045948,
    42.273277, 3.529994, 6.3139105, 0.0, 27.781206, 1.0568318, 2.5255642, 26.518425, 2.5255642,
    2.5255642, 8.839475, 22.356628, 21.467297, 18.941732, 18.941732, 0.0, 1.2627821, 0.0, 7.576693,
    0.0, 0.0, 21.467297, 5.0511284, 32.94661, 0.0, 0.0, 1.2627821, 0.0, 0.0, 5.2841597, 0.0,
    1.2627821, 2.5255642, 23.99286, 0.0, 14.795647, 0.0, 0.0, 1.2627821, 8.839475, 4.2273273,
    1.2627821, 31.569553, 56.825195, 0.0, 0.0, 0.0, 0.0, 0.0, 3.7883465, 1.2627821, 2.5255642, 0.0,
    0.0, 0.0, 0.0, 0.0, 0.0, 2.5255642, 36.62068, 0.0, 0.0, 0.0, 11.365039, 0.0, 16.416168,
    29.924324, 50.511284, 0.0, 3.7883465, 0.0, 21.467297, 1.0568318, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
    0.0, 0.0, 0.0, 3.7883465, 7.3978233, 0.0, 0.0, 0.0, 0.0, 0.0, 1.0568318, 3.7883465, 27.781206,
    26.518425, 0.0, 0.0, 0.0, 0.0, 0.0, 15.153386, 34.095116, 40.409027, 0.0, 0.0, 0.0, 0.0, 0.0,
    3.7883465, 1.2627821, 3.7883465, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 8.839475, 0.0, 25.255642,
    2.5255642, 16.416168, 0.0, 1.2627821, 0.0, 10.102257, 15.852478, 0.0, 42.934593, 49.2485, 0.0,
    3.7883465, 0.0, 10.102257, 7.3978233, 44.197372, 3.1704955, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0,
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