| [0275ad] | 1 | /* | 
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|  | 2 | * Project: MoleCuilder | 
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|  | 3 | * Description: creates and alters molecular systems | 
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| [0aa122] | 4 | * Copyright (C)  2010-2012 University of Bonn. All rights reserved. | 
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| [94d5ac6] | 5 | * | 
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|  | 6 | * | 
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|  | 7 | *   This file is part of MoleCuilder. | 
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|  | 8 | * | 
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|  | 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
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|  | 10 | *    it under the terms of the GNU General Public License as published by | 
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|  | 11 | *    the Free Software Foundation, either version 2 of the License, or | 
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|  | 12 | *    (at your option) any later version. | 
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|  | 13 | * | 
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|  | 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
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|  | 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
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|  | 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
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|  | 17 | *    GNU General Public License for more details. | 
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|  | 18 | * | 
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|  | 19 | *    You should have received a copy of the GNU General Public License | 
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|  | 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
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| [0275ad] | 21 | */ | 
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|  | 22 |  | 
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|  | 23 | /* | 
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|  | 24 | * RandomNumberDistribution_Parameters.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: Jan 6, 2011 | 
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|  | 27 | *      Author: heber | 
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|  | 28 | */ | 
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|  | 29 |  | 
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|  | 30 | // include config.h | 
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|  | 31 | #ifdef HAVE_CONFIG_H | 
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|  | 32 | #include <config.h> | 
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|  | 33 | #endif | 
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|  | 34 |  | 
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|  | 35 | #include "CodePatterns/MemDebug.hpp" | 
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|  | 36 |  | 
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|  | 37 | #include <iostream> | 
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|  | 38 | #include <boost/tokenizer.hpp> | 
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|  | 39 | #include <string> | 
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|  | 40 | #include <map> | 
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|  | 41 |  | 
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|  | 42 | #include "CodePatterns/Assert.hpp" | 
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|  | 43 | #include "CodePatterns/Log.hpp" | 
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|  | 44 | #include "CodePatterns/Verbose.hpp" | 
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|  | 45 |  | 
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|  | 46 | #include "RandomNumberDistribution_Parameters.hpp" | 
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|  | 47 |  | 
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|  | 48 | #include "RandomNumberDistribution.hpp" | 
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|  | 49 |  | 
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|  | 50 | RandomNumberDistribution_Parameters::ParamNames RandomNumberDistribution_Parameters::params; | 
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|  | 51 | const double RandomNumberDistribution_Parameters::noset_value = -1.; | 
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|  | 52 |  | 
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|  | 53 | RandomNumberDistribution_Parameters::RandomNumberDistribution_Parameters() : | 
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|  | 54 | min(noset_value), | 
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|  | 55 | max(noset_value), | 
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|  | 56 | p(noset_value), | 
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|  | 57 | t(noset_value), | 
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|  | 58 | median(noset_value), | 
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|  | 59 | sigma(noset_value), | 
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|  | 60 | alpha(noset_value), | 
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|  | 61 | mean(noset_value), | 
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|  | 62 | a(noset_value), | 
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|  | 63 | b(noset_value), | 
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|  | 64 | c(noset_value), | 
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|  | 65 | lambda(noset_value) | 
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|  | 66 | { | 
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|  | 67 | // if param names map not yet filled, do so | 
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|  | 68 | if (params.begin() == params.end()) { | 
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|  | 69 | params["min"] = param_min; | 
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|  | 70 | params["max"] = param_max; | 
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|  | 71 | params["p"] = param_p; | 
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|  | 72 | params["t"] = param_t; | 
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|  | 73 | params["median"] = param_median; | 
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|  | 74 | params["sigma"] = param_sigma; | 
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|  | 75 | params["alpha"] = param_alpha; | 
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|  | 76 | params["mean"] = param_mean; | 
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|  | 77 | params["a"] = param_a; | 
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|  | 78 | params["b"] = param_b; | 
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|  | 79 | params["c"] = param_c; | 
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|  | 80 | params["lambda"] = param_lambda; | 
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|  | 81 | } | 
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|  | 82 | } | 
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|  | 83 |  | 
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|  | 84 | RandomNumberDistribution_Parameters::RandomNumberDistribution_Parameters( | 
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|  | 85 | const RandomNumberDistribution_Parameters &_ref) | 
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|  | 86 | { | 
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|  | 87 | // check self assignment | 
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|  | 88 | if (&_ref != this) { | 
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|  | 89 | min = _ref.min; | 
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|  | 90 | max = _ref.max; | 
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|  | 91 | p = _ref.p; | 
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|  | 92 | p = _ref.t; | 
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|  | 93 | median = _ref.median; | 
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|  | 94 | sigma = _ref.sigma; | 
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|  | 95 | alpha = _ref.alpha; | 
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|  | 96 | mean = _ref.mean; | 
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|  | 97 | a = _ref.a; | 
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|  | 98 | b = _ref.b; | 
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|  | 99 | c = _ref.c; | 
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|  | 100 | lambda = _ref.lambda; | 
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|  | 101 | } | 
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|  | 102 | } | 
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|  | 103 |  | 
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|  | 104 | RandomNumberDistribution_Parameters::~RandomNumberDistribution_Parameters() | 
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|  | 105 | {} | 
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|  | 106 |  | 
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|  | 107 | void RandomNumberDistribution_Parameters::getParameters(const RandomNumberDistribution* const _distribution) | 
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|  | 108 | { | 
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|  | 109 | min = _distribution->min(); | 
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|  | 110 | max = _distribution->max(); | 
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|  | 111 | p = _distribution->p(); | 
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|  | 112 | t = _distribution->t(); | 
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|  | 113 | median = _distribution->median(); | 
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|  | 114 | sigma = _distribution->sigma(); | 
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|  | 115 | alpha = _distribution->alpha(); | 
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|  | 116 | mean = _distribution->mean(); | 
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|  | 117 | a = _distribution->a(); | 
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|  | 118 | b = _distribution->b(); | 
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|  | 119 | c = _distribution->c(); | 
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|  | 120 | lambda = _distribution->lambda(); | 
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|  | 121 | } | 
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|  | 122 |  | 
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|  | 123 | void RandomNumberDistribution_Parameters::update(const RandomNumberDistribution_Parameters &_params) | 
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|  | 124 | { | 
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|  | 125 | min = _params.min != noset_value ? _params.min : min; | 
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|  | 126 | max = _params.max != noset_value ? _params.max : max; | 
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|  | 127 | p = _params.p != noset_value ? _params.p : p; | 
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|  | 128 | p = _params.t != noset_value ? _params.t : t; | 
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|  | 129 | median = _params.median != noset_value ? _params.median : median; | 
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|  | 130 | sigma = _params.sigma != noset_value ? _params.sigma : sigma; | 
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|  | 131 | alpha = _params.alpha != noset_value ? _params.alpha : alpha; | 
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|  | 132 | mean = _params.mean != noset_value ? _params.mean : mean; | 
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|  | 133 | a = _params.a != noset_value ? _params.a : a; | 
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|  | 134 | b = _params.b != noset_value ? _params.b : b; | 
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|  | 135 | c = _params.c != noset_value ? _params.c : c; | 
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|  | 136 | lambda = _params.lambda != noset_value ? _params.lambda : lambda; | 
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|  | 137 | } | 
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|  | 138 |  | 
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|  | 139 | bool RandomNumberDistribution_Parameters::isDefault() const | 
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|  | 140 | { | 
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|  | 141 | bool status = true; | 
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|  | 142 | status = status && (min == noset_value); | 
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|  | 143 | status = status && (max == noset_value); | 
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|  | 144 | status = status && (p == noset_value); | 
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|  | 145 | status = status && (t == noset_value); | 
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|  | 146 | status = status && (median == noset_value); | 
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|  | 147 | status = status && (sigma == noset_value); | 
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|  | 148 | status = status && (alpha == noset_value); | 
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|  | 149 | status = status && (mean == noset_value); | 
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|  | 150 | status = status && (a == noset_value); | 
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|  | 151 | status = status && (b == noset_value); | 
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|  | 152 | status = status && (c == noset_value); | 
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|  | 153 | status = status && (lambda == noset_value); | 
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|  | 154 | return status; | 
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|  | 155 | } | 
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|  | 156 |  | 
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|  | 157 | std::ostream & operator << (std::ostream& ost, const RandomNumberDistribution_Parameters ¶ms) | 
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|  | 158 | { | 
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|  | 159 | std::ostringstream output; | 
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|  | 160 | output << "min=" << params.min << ";"; | 
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|  | 161 | output << "max=" << params.max << ";"; | 
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|  | 162 | output << "p=" << params.p << ";"; | 
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|  | 163 | output << "t=" << params.t << ";"; | 
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|  | 164 | output << "median=" << params.median << ";"; | 
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|  | 165 | output << "sigma=" << params.sigma << ";"; | 
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|  | 166 | output << "alpha=" << params.alpha << ";"; | 
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|  | 167 | output << "mean=" << params.mean << ";"; | 
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|  | 168 | output << "a=" << params.a << ";"; | 
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|  | 169 | output << "b=" << params.b << ";"; | 
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|  | 170 | output << "c=" << params.c << ";"; | 
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|  | 171 | output << "lambda=" << params.lambda << ";" << std::endl; | 
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|  | 172 | ost << output.str(); | 
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|  | 173 | return ost; | 
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|  | 174 | } | 
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|  | 175 |  | 
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|  | 176 | // TODO: These should throw exceptions such that invalid user entry can be detected. | 
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|  | 177 | std::istream & operator >> (std::istream& ist, RandomNumberDistribution_Parameters ¶ms) | 
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|  | 178 | { | 
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|  | 179 | typedef boost::tokenizer<boost::char_separator<char> > | 
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|  | 180 | tokenizer; | 
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|  | 181 | boost::char_separator<char> semicolonsep(";"); | 
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|  | 182 | boost::char_separator<char> equalitysep("="); | 
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|  | 183 | std::string line; | 
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|  | 184 | double tmp; | 
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|  | 185 | std::getline( ist, line ); | 
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| [47d041] | 186 | //LOG(0, "INFO: full line of parameters is '" << line << "'"); | 
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| [0275ad] | 187 | tokenizer tokens(line, semicolonsep); | 
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|  | 188 | ASSERT(tokens.begin() != tokens.end(), | 
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|  | 189 | "operator<< on RandomNumberDistribution_Parameters - empty string, need at least ';'!"); | 
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|  | 190 | for (tokenizer::iterator tok_iter = tokens.begin(); | 
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|  | 191 | tok_iter != tokens.end(); ++tok_iter) { | 
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|  | 192 | tokenizer paramtokens(*tok_iter, equalitysep); | 
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|  | 193 | if (paramtokens.begin() != paramtokens.end()) { | 
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|  | 194 | tokenizer::iterator tok_paramiter = paramtokens.begin(); | 
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|  | 195 | tokenizer::iterator tok_valueiter = tok_paramiter; | 
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|  | 196 | tokenizer::iterator tok_checkiter = ++tok_valueiter; | 
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| [c14c78] | 197 | ASSERT(tok_paramiter != paramtokens.end(), | 
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|  | 198 | "operator<< on RandomNumberDistribution_Parameters - missing value before '='!"); | 
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|  | 199 | ASSERT(tok_valueiter != paramtokens.end(), | 
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|  | 200 | "operator<< on RandomNumberDistribution_Parameters - missing value after '='!"); | 
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| [0275ad] | 201 | ++tok_checkiter; | 
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| [c14c78] | 202 | ASSERT(tok_checkiter == paramtokens.end(), | 
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| [0275ad] | 203 | "operator<< on RandomNumberDistribution_Parameters - still tokens before ';'!"); | 
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| [47d041] | 204 | LOG(0, "INFO: Token pair is " << *tok_paramiter << "," << *tok_valueiter); | 
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| [0275ad] | 205 | std::stringstream value(*tok_valueiter); | 
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|  | 206 | value >> tmp; | 
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|  | 207 | if ((RandomNumberDistribution_Parameters::params.count(*tok_paramiter) != 0) | 
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|  | 208 | && (tmp != RandomNumberDistribution_Parameters::noset_value)) { | 
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|  | 209 | switch (RandomNumberDistribution_Parameters::params[*tok_paramiter]) { | 
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|  | 210 | case (RandomNumberDistribution_Parameters::param_min): | 
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|  | 211 | params.min = tmp; | 
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|  | 212 | break; | 
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|  | 213 | case (RandomNumberDistribution_Parameters::param_max): | 
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|  | 214 | params.max = tmp; | 
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|  | 215 | break; | 
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|  | 216 | case (RandomNumberDistribution_Parameters::param_p): | 
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|  | 217 | params.p = tmp; | 
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|  | 218 | break; | 
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|  | 219 | case (RandomNumberDistribution_Parameters::param_t): | 
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|  | 220 | params.t = tmp; | 
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|  | 221 | break; | 
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|  | 222 | case (RandomNumberDistribution_Parameters::param_median): | 
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|  | 223 | params.median = tmp; | 
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|  | 224 | break; | 
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|  | 225 | case (RandomNumberDistribution_Parameters::param_sigma): | 
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|  | 226 | params.sigma = tmp; | 
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|  | 227 | break; | 
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|  | 228 | case (RandomNumberDistribution_Parameters::param_alpha): | 
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|  | 229 | params.alpha = tmp; | 
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|  | 230 | break; | 
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|  | 231 | case (RandomNumberDistribution_Parameters::param_mean): | 
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|  | 232 | params.mean = tmp; | 
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|  | 233 | break; | 
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|  | 234 | case (RandomNumberDistribution_Parameters::param_a): | 
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|  | 235 | params.a = tmp; | 
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|  | 236 | break; | 
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|  | 237 | case (RandomNumberDistribution_Parameters::param_b): | 
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|  | 238 | params.b = tmp; | 
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|  | 239 | break; | 
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|  | 240 | case (RandomNumberDistribution_Parameters::param_c): | 
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|  | 241 | params.c = tmp; | 
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|  | 242 | break; | 
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|  | 243 | case (RandomNumberDistribution_Parameters::param_lambda): | 
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|  | 244 | params.lambda = tmp; | 
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|  | 245 | break; | 
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|  | 246 | default: | 
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|  | 247 | std::cerr << "This is weird, we cannot get here!" << std::endl; | 
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|  | 248 | } | 
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| [47d041] | 249 | LOG(1, "ACCEPT: Value for token " << *tok_paramiter << " set."); | 
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| [0275ad] | 250 | } else { | 
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| [47d041] | 251 | LOG(1, "REJECT: Value for token " << *tok_paramiter << " not specified."); | 
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| [0275ad] | 252 | } | 
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|  | 253 | } else { | 
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|  | 254 | ist.setstate(std::ios::eofbit); | 
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|  | 255 | } | 
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|  | 256 | } | 
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|  | 257 | return ist; | 
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|  | 258 | } | 
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