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// $Id$
//
// Copyright (C) 2002-2006 Greg Landrum and Rational Discovery LLC
//
// @@ All Rights Reserved @@
// This file is part of the RDKit.
// The contents are covered by the terms of the BSD license
// which is included in the file license.txt, found at the root
// of the RDKit source tree.
//
#include "utils.h"
#include <math.h>
#include <string>
#include <boost/random.hpp>
namespace RDKit {
static rng_type generator(42u);
uniform_double dist(0.0, 1.0);
static double_source_type dbRandSource(generator, dist);
double_source_type &getDoubleRandomSource() { return dbRandSource; };
rng_type &getRandomGenerator(int seed) {
if (seed > 0) {
generator.seed(seed);
}
return generator;
}
double getRandomVal(int seed) {
if (seed > 0) {
generator.seed(seed);
}
return dbRandSource();
}
bool feq(double v1, double v2, double tol) { return fabs(v1 - v2) <= tol; }
double computeIntVectPrimesProduct(const INT_VECT &vect) {
double invr = 1.0;
for (int ci : vect) {
// this thing with using mod introduces a slight risk of
// getting collisions. We'll have to either live with that
// or switch to using a different hashing algorithm
invr *= firstThousandPrimes[ci % NUM_PRIMES_AVAIL];
}
return invr;
}
int firstThousandPrimes[NUM_PRIMES_AVAIL] = {
2, 3, 5, 7, 11, 13, 17, 19, 23, 29, 31, 37,
41, 43, 47, 53, 59, 61, 67, 71, 73, 79, 83, 89,
97, 101, 103, 107, 109, 113, 127, 131, 137, 139, 149, 151,
157, 163, 167, 173, 179, 181, 191, 193, 197, 199, 211, 223,
227, 229, 233, 239, 241, 251, 257, 263, 269, 271, 277, 281,
283, 293, 307, 311, 313, 317, 331, 337, 347, 349, 353, 359,
367, 373, 379, 383, 389, 397, 401, 409, 419, 421, 431, 433,
439, 443, 449, 457, 461, 463, 467, 479, 487, 491, 499, 503,
509, 521, 523, 541, 547, 557, 563, 569, 571, 577, 587, 593,
599, 601, 607, 613, 617, 619, 631, 641, 643, 647, 653, 659,
661, 673, 677, 683, 691, 701, 709, 719, 727, 733, 739, 743,
751, 757, 761, 769, 773, 787, 797, 809, 811, 821, 823, 827,
829, 839, 853, 857, 859, 863, 877, 881, 883, 887, 907, 911,
919, 929, 937, 941, 947, 953, 967, 971, 977, 983, 991, 997,
1009, 1013, 1019, 1021, 1031, 1033, 1039, 1049, 1051, 1061, 1063, 1069,
1087, 1091, 1093, 1097, 1103, 1109, 1117, 1123, 1129, 1151, 1153, 1163,
1171, 1181, 1187, 1193, 1201, 1213, 1217, 1223, 1229, 1231, 1237, 1249,
1259, 1277, 1279, 1283, 1289, 1291, 1297, 1301, 1303, 1307, 1319, 1321,
1327, 1361, 1367, 1373, 1381, 1399, 1409, 1423, 1427, 1429, 1433, 1439,
1447, 1451, 1453, 1459, 1471, 1481, 1483, 1487, 1489, 1493, 1499, 1511,
1523, 1531, 1543, 1549, 1553, 1559, 1567, 1571, 1579, 1583, 1597, 1601,
1607, 1609, 1613, 1619, 1621, 1627, 1637, 1657, 1663, 1667, 1669, 1693,
1697, 1699, 1709, 1721, 1723, 1733, 1741, 1747, 1753, 1759, 1777, 1783,
1787, 1789, 1801, 1811, 1823, 1831, 1847, 1861, 1867, 1871, 1873, 1877,
1879, 1889, 1901, 1907, 1913, 1931, 1933, 1949, 1951, 1973, 1979, 1987,
1993, 1997, 1999, 2003, 2011, 2017, 2027, 2029, 2039, 2053, 2063, 2069,
2081, 2083, 2087, 2089, 2099, 2111, 2113, 2129, 2131, 2137, 2141, 2143,
2153, 2161, 2179, 2203, 2207, 2213, 2221, 2237, 2239, 2243, 2251, 2267,
2269, 2273, 2281, 2287, 2293, 2297, 2309, 2311, 2333, 2339, 2341, 2347,
2351, 2357, 2371, 2377, 2381, 2383, 2389, 2393, 2399, 2411, 2417, 2423,
2437, 2441, 2447, 2459, 2467, 2473, 2477, 2503, 2521, 2531, 2539, 2543,
2549, 2551, 2557, 2579, 2591, 2593, 2609, 2617, 2621, 2633, 2647, 2657,
2659, 2663, 2671, 2677, 2683, 2687, 2689, 2693, 2699, 2707, 2711, 2713,
2719, 2729, 2731, 2741, 2749, 2753, 2767, 2777, 2789, 2791, 2797, 2801,
2803, 2819, 2833, 2837, 2843, 2851, 2857, 2861, 2879, 2887, 2897, 2903,
2909, 2917, 2927, 2939, 2953, 2957, 2963, 2969, 2971, 2999, 3001, 3011,
3019, 3023, 3037, 3041, 3049, 3061, 3067, 3079, 3083, 3089, 3109, 3119,
3121, 3137, 3163, 3167, 3169, 3181, 3187, 3191, 3203, 3209, 3217, 3221,
3229, 3251, 3253, 3257, 3259, 3271, 3299, 3301, 3307, 3313, 3319, 3323,
3329, 3331, 3343, 3347, 3359, 3361, 3371, 3373, 3389, 3391, 3407, 3413,
3433, 3449, 3457, 3461, 3463, 3467, 3469, 3491, 3499, 3511, 3517, 3527,
3529, 3533, 3539, 3541, 3547, 3557, 3559, 3571, 3581, 3583, 3593, 3607,
3613, 3617, 3623, 3631, 3637, 3643, 3659, 3671, 3673, 3677, 3691, 3697,
3701, 3709, 3719, 3727, 3733, 3739, 3761, 3767, 3769, 3779, 3793, 3797,
3803, 3821, 3823, 3833, 3847, 3851, 3853, 3863, 3877, 3881, 3889, 3907,
3911, 3917, 3919, 3923, 3929, 3931, 3943, 3947, 3967, 3989, 4001, 4003,
4007, 4013, 4019, 4021, 4027, 4049, 4051, 4057, 4073, 4079, 4091, 4093,
4099, 4111, 4127, 4129, 4133, 4139, 4153, 4157, 4159, 4177, 4201, 4211,
4217, 4219, 4229, 4231, 4241, 4243, 4253, 4259, 4261, 4271, 4273, 4283,
4289, 4297, 4327, 4337, 4339, 4349, 4357, 4363, 4373, 4391, 4397, 4409,
4421, 4423, 4441, 4447, 4451, 4457, 4463, 4481, 4483, 4493, 4507, 4513,
4517, 4519, 4523, 4547, 4549, 4561, 4567, 4583, 4591, 4597, 4603, 4621,
4637, 4639, 4643, 4649, 4651, 4657, 4663, 4673, 4679, 4691, 4703, 4721,
4723, 4729, 4733, 4751, 4759, 4783, 4787, 4789, 4793, 4799, 4801, 4813,
4817, 4831, 4861, 4871, 4877, 4889, 4903, 4909, 4919, 4931, 4933, 4937,
4943, 4951, 4957, 4967, 4969, 4973, 4987, 4993, 4999, 5003, 5009, 5011,
5021, 5023, 5039, 5051, 5059, 5077, 5081, 5087, 5099, 5101, 5107, 5113,
5119, 5147, 5153, 5167, 5171, 5179, 5189, 5197, 5209, 5227, 5231, 5233,
5237, 5261, 5273, 5279, 5281, 5297, 5303, 5309, 5323, 5333, 5347, 5351,
5381, 5387, 5393, 5399, 5407, 5413, 5417, 5419, 5431, 5437, 5441, 5443,
5449, 5471, 5477, 5479, 5483, 5501, 5503, 5507, 5519, 5521, 5527, 5531,
5557, 5563, 5569, 5573, 5581, 5591, 5623, 5639, 5641, 5647, 5651, 5653,
5657, 5659, 5669, 5683, 5689, 5693, 5701, 5711, 5717, 5737, 5741, 5743,
5749, 5779, 5783, 5791, 5801, 5807, 5813, 5821, 5827, 5839, 5843, 5849,
5851, 5857, 5861, 5867, 5869, 5879, 5881, 5897, 5903, 5923, 5927, 5939,
5953, 5981, 5987, 6007, 6011, 6029, 6037, 6043, 6047, 6053, 6067, 6073,
6079, 6089, 6091, 6101, 6113, 6121, 6131, 6133, 6143, 6151, 6163, 6173,
6197, 6199, 6203, 6211, 6217, 6221, 6229, 6247, 6257, 6263, 6269, 6271,
6277, 6287, 6299, 6301, 6311, 6317, 6323, 6329, 6337, 6343, 6353, 6359,
6361, 6367, 6373, 6379, 6389, 6397, 6421, 6427, 6449, 6451, 6469, 6473,
6481, 6491, 6521, 6529, 6547, 6551, 6553, 6563, 6569, 6571, 6577, 6581,
6599, 6607, 6619, 6637, 6653, 6659, 6661, 6673, 6679, 6689, 6691, 6701,
6703, 6709, 6719, 6733, 6737, 6761, 6763, 6779, 6781, 6791, 6793, 6803,
6823, 6827, 6829, 6833, 6841, 6857, 6863, 6869, 6871, 6883, 6899, 6907,
6911, 6917, 6947, 6949, 6959, 6961, 6967, 6971, 6977, 6983, 6991, 6997,
7001, 7013, 7019, 7027, 7039, 7043, 7057, 7069, 7079, 7103, 7109, 7121,
7127, 7129, 7151, 7159, 7177, 7187, 7193, 7207, 7211, 7213, 7219, 7229,
7237, 7243, 7247, 7253, 7283, 7297, 7307, 7309, 7321, 7331, 7333, 7349,
7351, 7369, 7393, 7411, 7417, 7433, 7451, 7457, 7459, 7477, 7481, 7487,
7489, 7499, 7507, 7517, 7523, 7529, 7537, 7541, 7547, 7549, 7559, 7561,
7573, 7577, 7583, 7589, 7591, 7603, 7607, 7621, 7639, 7643, 7649, 7669,
7673, 7681, 7687, 7691, 7699, 7703, 7717, 7723, 7727, 7741, 7753, 7757,
7759, 7789, 7793, 7817, 7823, 7829, 7841, 7853, 7867, 7873, 7877, 7879,
7883, 7901, 7907, 7919,
};
}
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