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optimize.h
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1/* This file is part of Cloudy and is copyright (C)1978-2013 by Gary J. Ferland and
2 * others. For conditions of distribution and use see copyright notice in license.txt */
3
4#ifndef OPTIMIZE_H_
5#define OPTIMIZE_H_
6
7#include "energy.h"
8#include "flux.h"
9
12bool lgOptimize_do(void);
13
17void vary_input(bool *lgLimOK, int grid_index);
18
33void optimize_subplex(long int n,
34 double tol,
35 long int maxnfe,
36 long int mode,
37 realnum scale[],
38 realnum x[],
39 realnum *fx,
40 long int *nfe,
41 realnum work[],
42 long int iwork[],
43 long int *iflag);
44
45/*<NP->*/
47const realnum VRSNEW = realnum(4.00);
48
49typedef double chi2_type;
50
51const chi2_type BIG_CHI2 = chi2_type(FLT_MAX);
52
54
56chi2_type optimize_func(const realnum param[], int grid_index = -1);
57
58/* varypar.h */
60const long LIMEXT = 5L;
61const long LIMPAR = 20L;
62
64
66
67// this struct is written straight to a binary file, so it should be
68// self-contained and NOT contain any pointers to other data!
69// this also implies that only POD types are allowed here
70template<class X, class Y = X, int NP = 32, int NSTR = 32>
72{
75 X p_xp[2*NP+1][NP];
76 Y p_yp[2*NP+1];
77 X p_absmin[NP];
78 X p_absmax[NP];
79 X p_varmin[NP];
80 X p_varmax[NP];
81 X p_a2[NP][NP];
82 X p_c1[NP];
83 X p_c2[NP];
84 X p_xc[NP];
85 X p_xcold[NP];
91 int32 p_dim;
92 int32 p_sdim;
93 int32 p_nvar;
94 int32 p_noptim;
95 int32 p_maxiter;
96 int32 p_jmin;
97 int32 p_maxcpu;
98 int32 p_curcpu;
100 char p_chState[NSTR];
101 char p_chStr1[NSTR];
102 char p_chStr2[NSTR];
103 char p_chStr3[NSTR];
104
105 // ONLY data items BEFORE this item will be written to the state file
106 uint32 p_size;
107 Y (*p_func)(const X[],int);
108
109 // private methods
110 void p_clear1();
111 void p_wr_state(const char*) const;
112 void p_rd_state(const char*);
113 Y p_execute_job( const X[], int, int );
114 // p_execute_job_parallel MUST be const, otherwise changes by child processes may be lost!
115 void p_execute_job_parallel( const X[], int, int ) const;
116 void p_barrier( int, int );
117 void p_process_output(int, int );
120 void p_reset_hyperblock();
121 void p_phygrm( X[][NP], int );
122 bool p_lgLimitExceeded(const X[]) const;
123 X p_delta( int i, int j ) const { return ( i == j ) ? X(1.) : X(0.); }
125
126public:
127 // public methods, there should be no data here...
129 void clear() { p_clear1(); }
130 void init_minmax( const X[], const X[], int );
131 void init_state_file_name( const char* );
132 void init_strings( const char*, const char*, const char* );
133 void initial_run( Y (*)(const X[],int), int, const X[], const X[], X, int, phymir_mode, int );
134 void continue_from_state( Y (*)(const X[],int), int, const char*, X, int, phymir_mode, int );
135 void optimize();
137 bool lgMaxIterExceeded() const { return ( p_noptim >= p_maxiter ); }
138 bool lgInitialized() const { return ( p_nvar > 0 ); }
139 bool lgConverged() const { return ( p_dmax <= p_toler ); }
140 bool lgConvergedRestart() const;
141 X xval( int i ) const { return p_xc[i]; }
142 X xmin( int i ) const { return max(p_varmin[i],p_absmin[i]); }
143 X xmax( int i ) const { return min(p_varmax[i],p_absmax[i]); }
144 Y yval() const { return p_ymin; }
145 int32 noptim() const { return p_noptim; }
146};
147
148
171
176
179
181
185
189
192
194 long int nvarxt[LIMPAR],
196
199
200 long int nvary,
204
205 long int nIterOptim;
206
208 vector<string> chColDen_label;
209 vector<long> ion_ColDen;
210 vector<realnum> ColDen_Obs;
211 vector<realnum> ColDen_error;
212
215 vector<string> chLineLabel;
217 vector<realnum> wavelength;
219 vector<realnum> errorwave;
220 vector<long> ipobs;
221 vector<realnum> xLineInt_Obs;
222 vector<realnum> xLineInt_error;
223
225 vector<string> chTempLab;
226 vector<long> ionTemp;
227 vector<realnum> temp_obs;
228 vector<realnum> temp_error;
229 vector<string> chTempWeight;
230
236
238 vector<long> ContIndex;
239 vector<Energy> ContEner;
240 vector<Flux> ContNFnu;
241 vector<chi2_type> ContNFnuErr;
242
244
246 long int nOptimiz;
247
251 long int nTrOpt;
257
261 long useCPU;
262
264 char chOptRtn[5];
265
266 double SavGenericData[10];
267
268 };
269extern t_optimize optimize;
270
271#endif /* OPTIMIZE_H_ */
const int FILENAME_PATH_LENGTH_2
Definition cddefines.h:249
const int INPUT_LINE_LENGTH
Definition cddefines.h:254
float realnum
Definition cddefines.h:103
long max(int a, long b)
Definition cddefines.h:775
long min(int a, long b)
Definition cddefines.h:723
bool lgConverged() const
Definition optimize.h:139
void continue_from_state(Y(*)(const X[], int), int, const char *, X, int, phymir_mode, int)
int32 noptim() const
Definition optimize.h:145
X p_absmin[NP]
Definition optimize.h:77
void init_strings(const char *, const char *, const char *)
char p_chStr2[NSTR]
Definition optimize.h:102
bool lgInitialized() const
Definition optimize.h:138
void p_rd_state(const char *)
X p_c2[NP]
Definition optimize.h:83
bool p_lgLimitExceeded(const X[]) const
void p_reset_transformation_matrix()
void p_barrier(int, int)
X p_absmax[NP]
Definition optimize.h:78
X xval(int i) const
Definition optimize.h:141
char p_chStr1[NSTR]
Definition optimize.h:101
void p_phygrm(X[][NP], int)
int32 p_maxcpu
Definition optimize.h:97
Y yval() const
Definition optimize.h:144
int32 p_maxiter
Definition optimize.h:95
int32 p_curcpu
Definition optimize.h:98
void initial_run(Y(*)(const X[], int), int, const X[], const X[], X, int, phymir_mode, int)
Y p_execute_job(const X[], int, int)
void p_evaluate_hyperblock()
int32 p_dim
Definition optimize.h:91
void p_setup_next_hyperblock()
int32 p_nvar
Definition optimize.h:93
void init_state_file_name(const char *)
X p_xp[2 *NP+1][NP]
Definition optimize.h:75
X p_delta(int i, int j) const
Definition optimize.h:123
X xmax(int i) const
Definition optimize.h:143
Y p_yp[2 *NP+1]
Definition optimize.h:76
void p_process_output(int, int)
void optimize_with_restart()
char p_chState[NSTR]
Definition optimize.h:100
int32 p_noptim
Definition optimize.h:94
char p_chStr3[NSTR]
Definition optimize.h:103
Y(* p_func)(const X[], int)
Definition optimize.h:107
int32 p_jmin
Definition optimize.h:96
bool lgConvergedRestart() const
X p_xcold[NP]
Definition optimize.h:85
X p_varmax[NP]
Definition optimize.h:80
int32 p_sdim
Definition optimize.h:92
void init_minmax(const X[], const X[], int)
X p_varmin[NP]
Definition optimize.h:79
bool lgMaxIterExceeded() const
Definition optimize.h:137
void clear()
Definition optimize.h:129
void p_execute_job_parallel(const X[], int, int) const
uint32 p_size
Definition optimize.h:106
phymir_mode p_mode
Definition optimize.h:99
X xmin(int i) const
Definition optimize.h:142
X p_c1[NP]
Definition optimize.h:82
void p_wr_state(const char *) const
X p_a2[NP][NP]
Definition optimize.h:81
X p_xc[NP]
Definition optimize.h:84
char chOptimFileName[INPUT_LINE_LENGTH]
Definition optimize.cpp:6
t_optimize optimize
Definition optimize.cpp:5
void optimize_phymir(realnum[], const realnum[], long, chi2_type *, realnum)
const long LIMEXT
Definition optimize.h:60
double chi2_type
Definition optimize.h:49
void optimize_subplex(long int n, double tol, long int maxnfe, long int mode, realnum scale[], realnum x[], realnum *fx, long int *nfe, realnum work[], long int iwork[], long int *iflag)
const chi2_type BIG_CHI2
Definition optimize.h:51
bool lgOptimize_do(void)
const realnum VRSNEW
Definition optimize.h:47
chi2_type optimize_func(const realnum param[], int grid_index=-1)
phymir_mode
Definition optimize.h:65
@ PHYMIR_MPI
Definition optimize.h:65
@ PHYMIR_FORK
Definition optimize.h:65
@ PHYMIR_ILL
Definition optimize.h:65
@ PHYMIR_SEQ
Definition optimize.h:65
void vary_input(bool *lgLimOK, int grid_index)
const long LIMPAR
Definition optimize.h:61
int nOptLum
Definition optimize.h:256
long int nparm
Definition optimize.h:201
bool lgParallel
Definition optimize.h:259
realnum vincr[LIMPAR]
Definition optimize.h:191
vector< string > chColDen_label
Definition optimize.h:208
realnum varmax[LIMPAR]
Definition optimize.h:183
vector< realnum > errorwave
Definition optimize.h:219
vector< realnum > xLineInt_Obs
Definition optimize.h:221
bool lgOptLum
Definition optimize.h:255
realnum OptIncrm[LIMPAR]
Definition optimize.h:197
realnum varmin[LIMPAR]
Definition optimize.h:184
vector< realnum > ColDen_Obs
Definition optimize.h:210
bool lgOptDiam
Definition optimize.h:232
long int nOptimiz
Definition optimize.h:246
bool lgOptimr
Definition optimize.h:178
long int nRangeSet
Definition optimize.h:202
bool lgVaryOn
Definition optimize.h:173
vector< Flux > ContNFnu
Definition optimize.h:240
long int nvary
Definition optimize.h:200
vector< long > ContIndex
Definition optimize.h:238
vector< realnum > temp_error
Definition optimize.h:228
realnum vparm[LIMEXT][LIMPAR]
Definition optimize.h:188
bool lgTrOpt
Definition optimize.h:252
bool lgNoVary
Definition optimize.h:175
bool lgVarOn
Definition optimize.h:203
long int nIterOptim
Definition optimize.h:205
vector< realnum > temp_obs
Definition optimize.h:227
vector< long > ionTemp
Definition optimize.h:226
chi2_type optDiamErr
Definition optimize.h:235
bool lgOptimFlow
Definition optimize.h:248
long int nvarxt[LIMPAR]
Definition optimize.h:194
bool lgOptimizeAsLinear[LIMPAR]
Definition optimize.h:180
char chOptRtn[5]
Definition optimize.h:264
realnum optint
Definition optimize.h:249
bool lgDiamInCM
Definition optimize.h:233
chi2_type optDiam
Definition optimize.h:234
realnum optier
Definition optimize.h:250
char chVarFmt[LIMPAR][FILENAME_PATH_LENGTH_2]
Definition optimize.h:263
vector< string > chLineLabel
Definition optimize.h:215
vector< chi2_type > ContNFnuErr
Definition optimize.h:241
bool lgOptimize
Definition optimize.h:253
long useCPU
Definition optimize.h:261
vector< realnum > xLineInt_error
Definition optimize.h:222
vector< string > chTempLab
Definition optimize.h:225
vector< realnum > ColDen_error
Definition optimize.h:211
bool lgOptCont
Definition optimize.h:260
vector< Energy > ContEner
Definition optimize.h:239
long int nTrOpt
Definition optimize.h:251
realnum varang[LIMPAR][2]
Definition optimize.h:198
long int nvfpnt[LIMPAR]
Definition optimize.h:195
vector< realnum > wavelength
Definition optimize.h:217
vector< string > chTempWeight
Definition optimize.h:229
double SavGenericData[10]
Definition optimize.h:266
int nEmergent
Definition optimize.h:214
vector< long > ipobs
Definition optimize.h:220
vector< long > ion_ColDen
Definition optimize.h:209
realnum OptGlobalErr
Definition optimize.h:243