1 //-----------------------------------------------------------------------bl-
2 //--------------------------------------------------------------------------
3 //
4 // Antioch - A Gas Dynamics Thermochemistry Library
5 //
6 // Copyright (C) 2014-2016 Paul T. Bauman, Benjamin S. Kirk,
7 // Sylvain Plessis, Roy H. Stonger
8 //
9 // Copyright (C) 2013 The PECOS Development Team
10 //
11 // This library is free software; you can redistribute it and/or
12 // modify it under the terms of the Version 2.1 GNU Lesser General
13 // Public License as published by the Free Software Foundation.
14 //
15 // This library is distributed in the hope that it will be useful,
16 // but WITHOUT ANY WARRANTY; without even the implied warranty of
17 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
18 // Lesser General Public License for more details.
19 //
20 // You should have received a copy of the GNU Lesser General Public
21 // License along with this library; if not, write to the Free Software
22 // Foundation, Inc. 51 Franklin Street, Fifth Floor,
23 // Boston, MA 02110-1301 USA
24 //
25 //-----------------------------------------------------------------------el-
26
27 // valarray has to be declared before Antioch or gcc can't find the
28 // right versions of exp() and pow() to use??
29
30 #include "antioch_config.h"
31
32 #include <valarray>
33
34 #ifdef ANTIOCH_HAVE_EIGEN
35 #include "Eigen/Dense"
36 #endif
37
38 #ifdef ANTIOCH_HAVE_METAPHYSICL
39 #include "metaphysicl/numberarray.h"
40 #endif
41
42 #ifdef ANTIOCH_HAVE_VEXCL
43 #include "vexcl/vexcl.hpp"
44 #endif
45
46 #include "antioch/eigen_utils_decl.h"
47 #include "antioch/metaphysicl_utils_decl.h"
48 #include "antioch/valarray_utils_decl.h"
49 #include "antioch/vexcl_utils_decl.h"
50
51 #include "antioch/berthelot_rate.h"
52
53 #include "antioch/eigen_utils.h"
54 #include "antioch/metaphysicl_utils.h"
55 #include "antioch/valarray_utils.h"
56 #include "antioch/vexcl_utils.h"
57
58 #include <cmath>
59 #include <limits>
60
61 #ifdef ANTIOCH_HAVE_GRVY
62 #include "grvy.h"
63
64 GRVY::GRVY_Timer_Class gt;
65 #endif
66
67 template <typename PairScalars>
check_rate_and_derivative(const PairScalars & rate_exact,const PairScalars & derive_exact,const PairScalars & rate,const PairScalars & derive,const PairScalars & T)68 int check_rate_and_derivative(const PairScalars & rate_exact, const PairScalars & derive_exact,
69 const PairScalars & rate, const PairScalars & derive, const PairScalars & T)
70 {
71 typedef typename Antioch::value_type<PairScalars>::type Scalar;
72 const Scalar tol = std::numeric_limits<Scalar>::epsilon() * 2;
73
74 int return_flag(0);
75
76 using std::abs;
77
78 for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
79 {
80 if( abs( (rate[2*tuple] - rate_exact[2*tuple])/rate_exact[2*tuple] ) > tol )
81 {
82 std::cout << std::scientific << std::setprecision(16)
83 << "Error: Mismatch in rate values." << std::endl
84 << "T = " << T << " K" << std::endl
85 << "rate(T) = " << rate[2*tuple] << std::endl
86 << "rate_exact = " << rate_exact[2*tuple] << std::endl
87 << "relative difference = " << abs( (rate[2*tuple] - rate_exact[2*tuple])/rate_exact[2*tuple] ) << std::endl
88 << "tolerance = " << tol << std::endl;
89
90 return_flag = 1;
91 }
92 if( abs( (rate[2*tuple+1] - rate_exact[2*tuple+1])/rate_exact[2*tuple+1] ) > tol )
93 {
94 std::cout << std::scientific << std::setprecision(16)
95 << "Error: Mismatch in rate values." << std::endl
96 << "T = " << T << " K" << std::endl
97 << "rate(T) = " << rate[2*tuple] << std::endl
98 << "rate_exact = " << rate_exact[2*tuple+1] << std::endl
99 << "relative difference = " << abs( (rate[2*tuple] - rate_exact[2*tuple+1])/rate_exact[2*tuple+1] ) << std::endl
100 << "tolerance = " << tol << std::endl;
101
102 return_flag = 1;
103 }
104 if( abs( (derive[2*tuple] - derive_exact[2*tuple])/derive_exact[2*tuple] ) > tol )
105 {
106 std::cout << std::scientific << std::setprecision(16)
107 << "Error: Mismatch in rate derivative values." << std::endl
108 << "T = " << T << " K" << std::endl
109 << "drate_dT(T) = " << derive[2*tuple] << std::endl
110 << "derive_exact = " << derive_exact[2*tuple] << std::endl
111 << "relative difference = " << abs( (derive[2*tuple] - derive_exact[2*tuple])/derive_exact[2*tuple] ) << std::endl
112 << "tolerance = " << tol << std::endl;
113
114 return_flag = 1;
115 }
116 if( abs( (derive[2*tuple+1] - derive_exact[2*tuple+1])/derive_exact[2*tuple+1] ) > tol )
117 {
118 std::cout << std::scientific << std::setprecision(16)
119 << "Error: Mismatch in rate derivative values." << std::endl
120 << "T = " << T << " K" << std::endl
121 << "drate_dT(T) = " << derive[2*tuple+1] << std::endl
122 << "derive_exact = " << derive_exact[2*tuple+1] << std::endl
123 << "relative difference = " << abs( (derive[2*tuple+1] - derive_exact[2*tuple+1])/derive_exact[2*tuple+1] ) << std::endl
124 << "tolerance = " << tol << std::endl;
125
126 return_flag = 1;
127 }
128
129 }
130 return return_flag;
131 }
132
133 template <typename PairScalars>
vectester(const PairScalars & example,const std::string & testname)134 int vectester(const PairScalars& example, const std::string & testname)
135 {
136 using std::abs;
137 using std::exp;
138
139 typedef typename Antioch::value_type<PairScalars>::type Scalar;
140
141 const Scalar Cf = 1.4;
142 const Scalar D = -2.5;
143
144 Antioch::BerthelotRate<Scalar> berthelot_rate(Cf,D);
145
146 // Construct from example to avoid resizing issues
147 PairScalars T = example;
148 PairScalars rate_exact = example;
149 PairScalars derive_exact = example;
150 for (unsigned int tuple=0; tuple != ANTIOCH_N_TUPLES; ++tuple)
151 {
152 T[2*tuple] = 1500.1;
153 T[2*tuple+1] = 1600.1;
154 rate_exact[2*tuple] = Cf*exp(D*1500.1);
155 rate_exact[2*tuple+1] = Cf*exp(D*1600.1);
156 derive_exact[2*tuple] = D * Cf * exp(D*Scalar(1500.1));
157 derive_exact[2*tuple+1] = D * Cf * exp(D*Scalar(1600.1));
158 }
159 Antioch::KineticsConditions<PairScalars> cond(T);
160
161 int return_flag = 0;
162
163 // KineticsConditions
164 #ifdef ANTIOCH_HAVE_GRVY
165 gt.BeginTimer(testname);
166 #endif
167
168 PairScalars rate = berthelot_rate(cond);
169 PairScalars derive = berthelot_rate.derivative(cond);
170
171 #ifdef ANTIOCH_HAVE_GRVY
172 gt.EndTimer(testname);
173 #endif
174
175 return_flag = check_rate_and_derivative(rate_exact, derive_exact, rate, derive,T) || return_flag;
176
177 #ifdef ANTIOCH_HAVE_GRVY
178 gt.BeginTimer(testname);
179 #endif
180
181 berthelot_rate.rate_and_derivative(cond,rate,derive);
182
183 #ifdef ANTIOCH_HAVE_GRVY
184 gt.EndTimer(testname);
185 #endif
186
187 return_flag = check_rate_and_derivative(rate_exact, derive_exact, rate, derive,T) || return_flag;
188
189 // T
190 #ifdef ANTIOCH_HAVE_GRVY
191 gt.BeginTimer(testname);
192 #endif
193
194 rate = berthelot_rate(T);
195 derive = berthelot_rate.derivative(T);
196
197 #ifdef ANTIOCH_HAVE_GRVY
198 gt.EndTimer(testname);
199 #endif
200
201 return_flag = check_rate_and_derivative(rate_exact, derive_exact, rate, derive,T) || return_flag;
202
203 #ifdef ANTIOCH_HAVE_GRVY
204 gt.BeginTimer(testname);
205 #endif
206
207 berthelot_rate.rate_and_derivative(T,rate,derive);
208
209 #ifdef ANTIOCH_HAVE_GRVY
210 gt.EndTimer(testname);
211 #endif
212
213 return_flag = check_rate_and_derivative(rate_exact, derive_exact, rate, derive,T) || return_flag;
214
215 std::cout << "Berthelot rate: " << berthelot_rate << std::endl;
216
217 return return_flag;
218 }
219
220
main()221 int main()
222 {
223 int returnval = 0;
224
225 returnval = returnval ||
226 vectester (std::valarray<float>(2*ANTIOCH_N_TUPLES), "valarray<float>");
227 returnval = returnval ||
228 vectester (std::valarray<double>(2*ANTIOCH_N_TUPLES), "valarray<double>");
229 returnval = returnval ||
230 vectester (std::valarray<long double>(2*ANTIOCH_N_TUPLES), "valarray<ld>");
231 #ifdef ANTIOCH_HAVE_EIGEN
232 returnval = returnval ||
233 vectester (Eigen::Array<float, 2*ANTIOCH_N_TUPLES, 1>(), "Eigen::ArrayXf");
234 returnval = returnval ||
235 vectester (Eigen::Array<double, 2*ANTIOCH_N_TUPLES, 1>(), "Eigen::ArrayXd");
236 returnval = returnval ||
237 vectester (Eigen::Array<long double, 2*ANTIOCH_N_TUPLES, 1>(), "Eigen::ArrayXld");
238 #endif
239 #ifdef ANTIOCH_HAVE_METAPHYSICL
240 returnval = returnval ||
241 vectester (MetaPhysicL::NumberArray<2*ANTIOCH_N_TUPLES, float> (0), "NumberArray<float>");
242 returnval = returnval ||
243 vectester (MetaPhysicL::NumberArray<2*ANTIOCH_N_TUPLES, double> (0), "NumberArray<double>");
244 returnval = returnval ||
245 vectester (MetaPhysicL::NumberArray<2*ANTIOCH_N_TUPLES, long double> (0), "NumberArray<ld>");
246 #endif
247 #ifdef ANTIOCH_HAVE_VEXCL
248 vex::Context ctx_f (vex::Filter::All);
249 if (!ctx_f.empty())
250 returnval = returnval ||
251 vectester (vex::vector<float> (ctx_f, 2*ANTIOCH_N_TUPLES), "vex::vector<float>");
252
253 vex::Context ctx_d (vex::Filter::DoublePrecision);
254 if (!ctx_d.empty())
255 returnval = returnval ||
256 vectester (vex::vector<double> (ctx_d, 2*ANTIOCH_N_TUPLES), "vex::vector<double>");
257 #endif
258
259 #ifdef ANTIOCH_HAVE_GRVY
260 gt.Finalize();
261 gt.Summarize();
262 #endif
263
264 return returnval;
265 }
266