1 | |
---|
2 | // ############################################################################ |
---|
3 | // |
---|
4 | // create_mz_kpp_module |
---|
5 | // |
---|
6 | // create scalar code from .f90 sources created by KPP to be used in MESSy |
---|
7 | // |
---|
8 | // COPYRIGHT Klaus Ketelsen and MPI-CH April 2007 |
---|
9 | // |
---|
10 | // ############################################################################ |
---|
11 | // |
---|
12 | // |
---|
13 | //Former revisions: |
---|
14 | //----------------- |
---|
15 | // Deleted $Id since document_changes does not work for C and C++ (15.03.2019, forkel) |
---|
16 | // |
---|
17 | // For vector version edit phot(nphot) - was before done in kpp4pal.ksh (15.03.2019, forkel) |
---|
18 | // |
---|
19 | // OpenMP version (15.03.2019, ketelsen) |
---|
20 | // |
---|
21 | // removal of unnecessary variables (Ntotal, TSTART) (08.03.2019 forkel) |
---|
22 | // |
---|
23 | // Added vector switch and creation of dimension statement (rev. 3260, 18.09.2018, ketelsen) |
---|
24 | // |
---|
25 | // removal of unnecessary variables (LOOKAT, monitor etc. from Fortran code) (Sept.2018, forkel) |
---|
26 | // |
---|
27 | // Replace Roundoff = WLAMCH('E') by Roundoff = epsilon(one) (20.04.2018, forkel) |
---|
28 | // |
---|
29 | // Moved adaption to PALM conventions to the end of the processing kpp output |
---|
30 | // in order to make future use of vector code adaptations possible (June 2018, forkel) |
---|
31 | // |
---|
32 | // changed KPP-generated code to lowercase with uppercase Fortran expressions |
---|
33 | // added photolysis variables (2017-09-14, forkel) |
---|
34 | // |
---|
35 | // Initial version of KP4 adapted to PALM (Nov 2016, ketelsen) |
---|
36 | // |
---|
37 | |
---|
38 | |
---|
39 | #include <fstream> |
---|
40 | #include "fortran_file.h" |
---|
41 | |
---|
42 | #include "utils.h" |
---|
43 | #include "ctype.h" |
---|
44 | void fortran_file::read () { |
---|
45 | |
---|
46 | ifstream in; |
---|
47 | program_line pl; |
---|
48 | string line; |
---|
49 | |
---|
50 | // Note: FORTRAN77 and include files are internally named .f90 |
---|
51 | |
---|
52 | string file_name = name + ".f90"; |
---|
53 | in.open(file_name.c_str() ); |
---|
54 | if( !in ) { |
---|
55 | cout << "cannot open " << endl; my_abort(file_name); |
---|
56 | } |
---|
57 | |
---|
58 | // Read kpp_fortran routines; |
---|
59 | while ( 1 ) { |
---|
60 | getline(in,line); |
---|
61 | if( in.eof() ) break; |
---|
62 | if( in.bad() ) my_abort("ERROR_READ_2"); |
---|
63 | |
---|
64 | // Remove trailing blanks |
---|
65 | while (1) { |
---|
66 | if(line.size() < 100) break; |
---|
67 | if(line.substr(line.size()-1,1) != " ") break; |
---|
68 | line.erase(line.size()-1,1); |
---|
69 | } |
---|
70 | |
---|
71 | if(line.find("'",0) == string::npos) { // No substitution in line with strings |
---|
72 | // if(line.substr(0,4) !="!KPP") { |
---|
73 | // global_substitute(line,"!"," ! "); |
---|
74 | // if(line.substr(0,2) =="! ") continue; // No Substitute of Comments |
---|
75 | // global_substitute(line,"("," ( "); |
---|
76 | // global_substitute(line,")"," ) "); |
---|
77 | // global_substitute(line,",",", "); |
---|
78 | // global_substitute(line,"*","* "); |
---|
79 | // global_substitute(line,"* *","**"); |
---|
80 | // global_substitute(line,"/JVS","/ JVS"); |
---|
81 | // global_substitute(line,"-","- "); |
---|
82 | // global_substitute(line,"e- ","e-"); |
---|
83 | // global_substitute(line,"+","+ "); |
---|
84 | // global_substitute(line,"d- ","d-"); |
---|
85 | // global_substitute(line,"D- ","D-"); |
---|
86 | // global_substitute(line,"e+ ","e+"); |
---|
87 | // global_substitute(line,"E+ ","E+"); |
---|
88 | // global_substitute(line,"E- ","E-"); |
---|
89 | // } |
---|
90 | |
---|
91 | if(line.substr(0,2) =="! ") { |
---|
92 | global_substitute(line,"#","#"); // just a dummy so comments do not get lost |
---|
93 | } else { |
---|
94 | global_substitute(line,"("," ( "); |
---|
95 | global_substitute(line,")"," ) "); |
---|
96 | global_substitute(line,",",", "); |
---|
97 | global_substitute(line,", ",", "); |
---|
98 | global_substitute(line,") ",") "); |
---|
99 | global_substitute(line,"*","* "); |
---|
100 | global_substitute(line,"* *","**"); |
---|
101 | global_substitute(line,"/JVS","/ JVS"); |
---|
102 | global_substitute(line,"-","- "); |
---|
103 | global_substitute(line,"+","+ "); |
---|
104 | global_substitute(line,"+ ","+ "); |
---|
105 | } |
---|
106 | } |
---|
107 | |
---|
108 | pl.set_line(line); |
---|
109 | pline.push_back(pl); |
---|
110 | } |
---|
111 | in.close(); |
---|
112 | |
---|
113 | return; |
---|
114 | } |
---|
115 | void fortran_file::edit_fortran () { |
---|
116 | |
---|
117 | vector<program_line>::iterator ip; |
---|
118 | string lo_line; |
---|
119 | bool deleted; |
---|
120 | |
---|
121 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
122 | if(ip->get_token(0) =="!") continue; // No editing of Comments |
---|
123 | deleted = false; |
---|
124 | lo_line = ip->get_line() ; |
---|
125 | if(ip->get_token(0) == "MODULE" && ip->get_token_size() >= 1) { |
---|
126 | lo_line.insert(0,"!DELETE "); |
---|
127 | } |
---|
128 | if(ip->get_token(0) == "USE" && ip->get_token_size() >= 1) { |
---|
129 | deleted = true; |
---|
130 | lo_line.insert(0,"!DELETE "); |
---|
131 | } |
---|
132 | if(ip->get_token(0) == "PUBLIC" && ip->get_token_size() >= 1) { |
---|
133 | deleted = true; |
---|
134 | lo_line.insert(0,"!DELETE "); |
---|
135 | } |
---|
136 | // if(ip->get_token(0) == "SAVE" && ip->get_token_size() >= 1) { |
---|
137 | // lo_line.insert(0,"!DELETE "); |
---|
138 | // } |
---|
139 | |
---|
140 | // Only IMPLICIT none, not IMPLICIT REAL (A-H,O-Z) |
---|
141 | if(ip->get_token(0) == "IMPLICIT" && ip->get_token_size() == 2) { |
---|
142 | lo_line.insert(0,"!DELETE "); |
---|
143 | } |
---|
144 | |
---|
145 | // Delete INCLUDE lines |
---|
146 | if(ip->get_token(0) == "INCLUDE" && ip->get_token_size() >= 1) { |
---|
147 | lo_line.insert(0,"!DELETE "); |
---|
148 | } |
---|
149 | |
---|
150 | // Update_RCONST has only to be called once per outer timeloop in KPP_FOR_PALM |
---|
151 | |
---|
152 | if(ip->get_token(0) == "CALL" && ip->get_token(1) == "Update_RCONST" ) { |
---|
153 | lo_line.insert(0,"!DELETE "); |
---|
154 | cout << lo_line << endl; |
---|
155 | } |
---|
156 | |
---|
157 | // Update_SUN must not be called within in KPP_FOR_PALM |
---|
158 | |
---|
159 | if(ip->get_token(0) == "CALL" && ip->get_token(1) == "Update_SUN" ) { |
---|
160 | lo_line.insert(0,"!DELETE "); |
---|
161 | cout << lo_line << endl; |
---|
162 | } |
---|
163 | |
---|
164 | // Remove " var(i) = x" (Make sure that var does not occur as first token anywhere else) |
---|
165 | |
---|
166 | if(ip->get_token(0) == "VAR") { |
---|
167 | lo_line.insert(0,"!DELETE "); |
---|
168 | cout << lo_line << endl; |
---|
169 | } |
---|
170 | |
---|
171 | // Remove Ntotal since it is unused |
---|
172 | |
---|
173 | if(ip->get_token(3) == "Ntotal") { |
---|
174 | lo_line.insert(0,"!DELETE "); |
---|
175 | cout << lo_line << endl; |
---|
176 | } |
---|
177 | |
---|
178 | |
---|
179 | |
---|
180 | ip->set_line(lo_line); |
---|
181 | |
---|
182 | // Delete continuation lines |
---|
183 | |
---|
184 | if(deleted) { |
---|
185 | while( ip->get_token_number_from_string("&") > 1) { |
---|
186 | ip++; |
---|
187 | lo_line = ip->get_line() ; |
---|
188 | lo_line.insert(0,"!DELETE "); |
---|
189 | ip->set_line(lo_line); |
---|
190 | } |
---|
191 | } |
---|
192 | } |
---|
193 | |
---|
194 | return; |
---|
195 | } |
---|
196 | |
---|
197 | void fortran_file::copy_to_subroutine_vector (vector<fortran_file> &subvec, |
---|
198 | fortran_file & header_var) { |
---|
199 | vector<program_line>::iterator ip; |
---|
200 | vector<fortran_file>::iterator iv; |
---|
201 | bool active_subroutine; |
---|
202 | string active_name; |
---|
203 | int name_pos; |
---|
204 | |
---|
205 | // loop over all lines in a fortran file |
---|
206 | |
---|
207 | |
---|
208 | // First, copy Module variables into header_var |
---|
209 | // This variables wil later copied into the kpp-moduzle header |
---|
210 | |
---|
211 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
212 | if(ip->get_token(0) == "CONTAINS") break; // Header done |
---|
213 | |
---|
214 | // Special Treatment of defining variables in PARAMETER context |
---|
215 | // The intel compiler creates fatal error, if blanks are embedded between / / |
---|
216 | // The SX-6 Compiler gives a warning |
---|
217 | |
---|
218 | ip->substitute("( / &","(/&"); |
---|
219 | ip->substitute(", & !",",& !"); |
---|
220 | ip->substitute(" / )","/)"); |
---|
221 | |
---|
222 | |
---|
223 | header_var.add_line(ip->get_line()); |
---|
224 | } |
---|
225 | |
---|
226 | // look for SUBROUTINE statement |
---|
227 | active_subroutine = false; |
---|
228 | |
---|
229 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
230 | |
---|
231 | // look for SUBROUTINE statement |
---|
232 | if(ip->get_token(0) == "SUBROUTINE" && !active_subroutine) { |
---|
233 | |
---|
234 | for(iv=subvec.begin();iv!=subvec.end();iv++) { |
---|
235 | if(ip->get_token(1) == iv->get_name() ) { |
---|
236 | // Subroutine is in list |
---|
237 | active_subroutine = true; |
---|
238 | active_name = ip->get_token(1); |
---|
239 | cout << "SUBROUTINE: " << active_name << " found in file " << name << endl; |
---|
240 | break; |
---|
241 | } |
---|
242 | } |
---|
243 | } |
---|
244 | |
---|
245 | // look for FUNCTION statement |
---|
246 | name_pos = ip->get_token_number_from_string("FUNCTION"); |
---|
247 | if(name_pos != -1 && !active_subroutine) { |
---|
248 | name_pos++; |
---|
249 | for(iv=subvec.begin();iv!=subvec.end();iv++) { |
---|
250 | if(ip->get_token(name_pos) == iv->get_name() ) { |
---|
251 | // Subroutine is in list |
---|
252 | active_subroutine = true; |
---|
253 | active_name = ip->get_token(name_pos); |
---|
254 | cout << "FUNCTION : " << active_name << " found in file " << name << endl; |
---|
255 | break; |
---|
256 | } |
---|
257 | } |
---|
258 | } |
---|
259 | |
---|
260 | if(active_subroutine) { |
---|
261 | // copy FORTRAN line from file to subroutine |
---|
262 | iv->add_line(ip->get_line()); |
---|
263 | } |
---|
264 | if(ip->get_token(1) == "SUBROUTINE" && ip->get_token(2) == active_name) { |
---|
265 | cout << "SUBROUTINE: " << active_name << " done " << endl; |
---|
266 | active_subroutine = false; |
---|
267 | active_name = " "; |
---|
268 | } |
---|
269 | if(ip->get_token(1) == "FUNCTION" && ip->get_token(2) == active_name) { |
---|
270 | cout << "FUNCTION : " << active_name << " done " << endl; |
---|
271 | active_subroutine = false; |
---|
272 | active_name = " "; |
---|
273 | } |
---|
274 | } |
---|
275 | |
---|
276 | return; |
---|
277 | } |
---|
278 | |
---|
279 | void fortran_file::edit_FUNC () { |
---|
280 | |
---|
281 | vector<program_line>::iterator ip; |
---|
282 | string lo_line; |
---|
283 | |
---|
284 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
285 | ip->substitute("REAL*8 Y(NVAR), J(LU_NONZERO)","real (kind=8),dimension(:,:) :: y,j"); |
---|
286 | ip->substitute("REAL*8 Y(NVAR), P(NVAR)", "real (kind=8),dimension(:,:) :: y,p"); |
---|
287 | lo_line = ip->get_line() ; |
---|
288 | if(ip->get_token(0) == "Told" && ip->get_token(1) == "=") { |
---|
289 | lo_line.insert(0,"!DELETE "); |
---|
290 | } |
---|
291 | if(ip->get_token(0) == "TIME" && ip->get_token(1) == "=") { |
---|
292 | lo_line.insert(0,"!DELETE "); |
---|
293 | } |
---|
294 | ip->set_line(lo_line); |
---|
295 | } |
---|
296 | |
---|
297 | return; |
---|
298 | } |
---|
299 | |
---|
300 | void fortran_file::edit_inc (fortran_file & header_var) { |
---|
301 | |
---|
302 | vector<program_line>::iterator ip; |
---|
303 | string lo_line; |
---|
304 | string lo_line_2; |
---|
305 | string lo_line_3; |
---|
306 | bool deleted; |
---|
307 | int i,nr_var; |
---|
308 | string public_line; |
---|
309 | |
---|
310 | // Delete module and end module lines |
---|
311 | |
---|
312 | header_var.add_line("! Automatic generated PUBLIC Statements for ip_ and ihs_ variables "); |
---|
313 | header_var.add_line(" "); |
---|
314 | |
---|
315 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
316 | deleted = false; |
---|
317 | lo_line = ip->get_line() ; |
---|
318 | if(ip->get_token(0) == "MODULE" && ip->get_token_size() >= 1) { |
---|
319 | lo_line.insert(0,"!DELETE "); |
---|
320 | } |
---|
321 | if(ip->get_token(0) == "END" && ip->get_token_size() >= 1) { |
---|
322 | lo_line.insert(0,"!DELETE "); |
---|
323 | } |
---|
324 | if(ip->get_token(0) == "USE" && ip->get_token_size() >= 1) { |
---|
325 | deleted = true; |
---|
326 | lo_line.insert(0,"!DELETE "); |
---|
327 | } |
---|
328 | if(ip->get_token(0) == "PUBLIC" && ip->get_token_size() >= 1) { |
---|
329 | deleted = true; |
---|
330 | lo_line.insert(0,"!DELETE "); |
---|
331 | } |
---|
332 | if(ip->get_token(0) == "SAVE" && ip->get_token_size() >= 1) { |
---|
333 | lo_line.insert(0,"!DELETE "); |
---|
334 | } |
---|
335 | // Delete KPP-generated EQUIVALENCE line (var is POINTER now) |
---|
336 | if(ip->get_token(0) == "EQUIVALENCE" && ip->get_token_size() >= 1) { |
---|
337 | lo_line.insert(0,"!DELETE "); |
---|
338 | } |
---|
339 | |
---|
340 | // Remove REAL(kind=dp):: sun |
---|
341 | |
---|
342 | if(ip->get_token_number_from_string("SUN") > 0) { |
---|
343 | lo_line.insert(0,"!DELETE "); |
---|
344 | cout << lo_line << endl; |
---|
345 | } |
---|
346 | |
---|
347 | // Remove INTEGER :: ddmtype |
---|
348 | |
---|
349 | if(ip->get_token_number_from_string("DDMTYPE") > 0) { |
---|
350 | cout << lo_line << endl; |
---|
351 | lo_line.insert(0,"!DELETE "); |
---|
352 | cout << lo_line << endl; |
---|
353 | } |
---|
354 | |
---|
355 | // Remove REAL(kind=dp) :: dt |
---|
356 | |
---|
357 | if(ip->get_token_number_from_string("DT") > 0) { |
---|
358 | cout << lo_line << endl; |
---|
359 | lo_line.insert(0,"!DELETE "); |
---|
360 | cout << lo_line << endl; |
---|
361 | } |
---|
362 | |
---|
363 | // Remove LOOKAT |
---|
364 | |
---|
365 | if(ip->get_token_number_from_string("LOOKAT") > 0) { |
---|
366 | cout << lo_line << endl; |
---|
367 | lo_line.insert(0,"!DELETE "); |
---|
368 | cout << lo_line << endl; |
---|
369 | } |
---|
370 | |
---|
371 | // Remove NLOOKAT |
---|
372 | |
---|
373 | if(ip->get_token_number_from_string("NLOOKAT") > 0) { |
---|
374 | cout << lo_line << endl; |
---|
375 | lo_line.insert(0,"!DELETE "); |
---|
376 | cout << lo_line << endl; |
---|
377 | } |
---|
378 | |
---|
379 | // Remove MONITOR |
---|
380 | |
---|
381 | if(ip->get_token_number_from_string("MONITOR") > 0) { |
---|
382 | cout << lo_line << endl; |
---|
383 | lo_line.insert(0,"!DELETE "); |
---|
384 | cout << lo_line << endl; |
---|
385 | } |
---|
386 | |
---|
387 | // Remove NMONITOR |
---|
388 | |
---|
389 | if(ip->get_token_number_from_string("NMONITOR") > 0) { |
---|
390 | cout << lo_line << endl; |
---|
391 | lo_line.insert(0,"!DELETE "); |
---|
392 | cout << lo_line << endl; |
---|
393 | } |
---|
394 | |
---|
395 | // Remove SMASS |
---|
396 | |
---|
397 | if(ip->get_token_number_from_string("SMASS") > 0) { |
---|
398 | cout << lo_line << endl; |
---|
399 | lo_line.insert(0,"!DELETE "); |
---|
400 | cout << lo_line << endl; |
---|
401 | } |
---|
402 | |
---|
403 | // Remove RTOLS |
---|
404 | |
---|
405 | if(ip->get_token_number_from_string("RTOLS") > 0) { |
---|
406 | cout << lo_line << endl; |
---|
407 | lo_line.insert(0,"!DELETE "); |
---|
408 | cout << lo_line << endl; |
---|
409 | } |
---|
410 | |
---|
411 | // Remove TSTART |
---|
412 | |
---|
413 | if(ip->get_token_number_from_string("TSTART") > 0) { |
---|
414 | cout << lo_line << endl; |
---|
415 | lo_line.insert(0,"!DELETE "); |
---|
416 | cout << lo_line << endl; |
---|
417 | } |
---|
418 | |
---|
419 | // Remove TEND |
---|
420 | |
---|
421 | if(ip->get_token_number_from_string("TEND") > 0) { |
---|
422 | cout << lo_line << endl; |
---|
423 | lo_line.insert(0,"!DELETE "); |
---|
424 | cout << lo_line << endl; |
---|
425 | } |
---|
426 | |
---|
427 | // Remove STEPMAX |
---|
428 | |
---|
429 | if(ip->get_token_number_from_string("STEPMAX") > 0) { |
---|
430 | cout << lo_line << endl; |
---|
431 | lo_line.insert(0,"!DELETE "); |
---|
432 | cout << lo_line << endl; |
---|
433 | } |
---|
434 | |
---|
435 | // Make ind_ variables public |
---|
436 | |
---|
437 | if(ip->get_token(3).substr(0,4) == "ind_") { |
---|
438 | global_substitute (lo_line,"PARAMETER","PARAMETER, PUBLIC"); |
---|
439 | } |
---|
440 | |
---|
441 | // Make ip_ variables public |
---|
442 | |
---|
443 | // mz_rs_20070907+ |
---|
444 | // ip_* are already public |
---|
445 | // Make ip_ variables public |
---|
446 | // nr_var=0; |
---|
447 | // for(i=0;i<ip->get_token_size();i++) { |
---|
448 | // if(ip->get_token(i).substr(0,3) == "ip_" && ip->get_token(0).substr(0,1) != "!") { |
---|
449 | // nr_var++; |
---|
450 | // if(nr_var == 1) { |
---|
451 | // public_line.clear(); |
---|
452 | // public_line = " PUBLIC " + ip->get_token(i); |
---|
453 | |
---|
454 | // } else { |
---|
455 | // public_line += ", " + ip->get_token(i); |
---|
456 | // } |
---|
457 | // } |
---|
458 | // } |
---|
459 | // if(nr_var > 0) { |
---|
460 | // header_var.add_line(public_line); |
---|
461 | // } |
---|
462 | // mz_rs_20070907- |
---|
463 | |
---|
464 | // Make ihs_ variables public |
---|
465 | |
---|
466 | nr_var=0; |
---|
467 | for(i=0;i<ip->get_token_size();i++) { |
---|
468 | if(ip->get_token(i).substr(0,4) == "ihs_" && ip->get_token(0).substr(0,1) != "!") { |
---|
469 | nr_var++; |
---|
470 | if(nr_var == 1) { |
---|
471 | public_line.clear(); |
---|
472 | public_line = " PUBLIC " + ip->get_token(i); |
---|
473 | |
---|
474 | } else { |
---|
475 | public_line += ", " + ip->get_token(i); |
---|
476 | } |
---|
477 | } |
---|
478 | } |
---|
479 | if(nr_var > 0) { |
---|
480 | header_var.add_line(public_line); |
---|
481 | } |
---|
482 | |
---|
483 | ip->set_line(lo_line); |
---|
484 | |
---|
485 | // Delete continuation lines |
---|
486 | |
---|
487 | if(deleted) { |
---|
488 | while( ip->get_token_number_from_string("&") > 1) { |
---|
489 | ip++; |
---|
490 | lo_line = ip->get_line() ; |
---|
491 | lo_line.insert(0,"!DELETE "); |
---|
492 | ip->set_line(lo_line); |
---|
493 | } |
---|
494 | } |
---|
495 | } |
---|
496 | |
---|
497 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
498 | // Special Treatment of defining variables in PARAMETER context |
---|
499 | // The intel compiler creates fatal error, if blanks are embedded between / / |
---|
500 | // The SX-6 Compiler gives a warning |
---|
501 | |
---|
502 | if(ip->get_token(7) == "substep" && ip->get_token(9) == "nsubsteps") { |
---|
503 | ip->substitute("( / 0. / )","0.0"); |
---|
504 | } |
---|
505 | ip->substitute("( /","(/"); |
---|
506 | ip->substitute("/ )","/)"); |
---|
507 | } |
---|
508 | |
---|
509 | return; |
---|
510 | } |
---|
511 | |
---|
512 | void fortran_file::create_species_list(vector <string> &species_list) { |
---|
513 | vector<program_line>::iterator ip; |
---|
514 | string lo_line; |
---|
515 | string specname; |
---|
516 | string longname; |
---|
517 | |
---|
518 | bool to_do = false; |
---|
519 | |
---|
520 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
521 | if(ip->get_token(2) == "declaration" && ip->get_token(5) == "species") { |
---|
522 | to_do = true; |
---|
523 | } |
---|
524 | if(ip->get_token(5) == "0" && ip->get_token_size() > 5 ) { |
---|
525 | to_do = false; |
---|
526 | } |
---|
527 | if(ip->get_token(0) == "INTEGER," && to_do) { |
---|
528 | lo_line = ip->get_line() ; |
---|
529 | int pos = lo_line.find("ind_",0); |
---|
530 | int end = lo_line.find(" ",pos+1); |
---|
531 | if(pos > 1) { |
---|
532 | specname.clear(); |
---|
533 | longname.clear(); |
---|
534 | specname = lo_line.substr(pos+4,end-pos-4); |
---|
535 | longname = specname + " "; |
---|
536 | // if(specname != "H2O") { // NO idt_variable for H2O |
---|
537 | species_list.push_back(specname); |
---|
538 | //} |
---|
539 | } |
---|
540 | } |
---|
541 | } |
---|
542 | |
---|
543 | return; |
---|
544 | } |
---|
545 | |
---|
546 | void fortran_file::vector_variable_list(vector <Vvar> &var_list) { |
---|
547 | vector<program_line>::iterator ip; |
---|
548 | string lo_line; |
---|
549 | Vvar vari; |
---|
550 | bool todo_1; |
---|
551 | |
---|
552 | bool to_do = false; |
---|
553 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
554 | todo_1 = false; |
---|
555 | if(ip->get_token(0) == "!KPPPP_DIRECTIVE" && ip->get_token(4) == "start") { |
---|
556 | to_do = true; |
---|
557 | ip++; |
---|
558 | } |
---|
559 | if(ip->get_token(0) == "!KPPPP_DIRECTIVE" && ip->get_token(4) == "end") { |
---|
560 | to_do = false; |
---|
561 | } |
---|
562 | if(kpp_switches.is_vector()) { |
---|
563 | if(ip->get_token(0).substr(0,1) != "!" && ip->get_token_number_from_string("TEMP") > 2) { |
---|
564 | todo_1 = true; |
---|
565 | } |
---|
566 | if(ip->get_token(0).substr(0,1) != "!" && ip->get_token_number_from_string("QVAP") > 2) { |
---|
567 | todo_1 = true; |
---|
568 | } |
---|
569 | if(ip->get_token(0).substr(0,1) != "!" && ip->get_token_number_from_string("FAKT") > 2) { |
---|
570 | todo_1 = true; |
---|
571 | } |
---|
572 | } |
---|
573 | |
---|
574 | if(to_do || todo_1) { |
---|
575 | if(ip->get_token(0).substr(0,1) == "!") continue; // skip comment limes |
---|
576 | vari.clear(); |
---|
577 | int pos1 = ip->get_token_number_from_string_upper ("DimensioN"); |
---|
578 | int pos = ip->get_token_number_from_string("::"); |
---|
579 | vari.name = ip->get_token(pos+1); |
---|
580 | if(pos1 > 1) { |
---|
581 | for (int i=pos1+2; i< ip->get_token_size(); i++) { |
---|
582 | if(ip->get_token(i).substr(0,1) == "!" || ip->get_token(i) == ")" ) { |
---|
583 | break; |
---|
584 | } else { |
---|
585 | ip->substitute(","," "); |
---|
586 | vari.dim_var.push_back(ip->get_token(i)); |
---|
587 | } |
---|
588 | } |
---|
589 | } else { |
---|
590 | if(ip->get_token_size() > pos+1 && ip->get_token(pos+2).substr(0,1) != "!" |
---|
591 | && ip->get_token(pos+2).substr(0,1) != "=" ) { |
---|
592 | for (int i=pos+3; i< ip->get_token_size(); i++) { |
---|
593 | if(ip->get_token(i).substr(0,1) == "!" || ip->get_token(i) == ")" ) { |
---|
594 | break; |
---|
595 | } else { |
---|
596 | ip->substitute(","," "); |
---|
597 | vari.dim_var.push_back(ip->get_token(i)); |
---|
598 | } |
---|
599 | } |
---|
600 | } |
---|
601 | } |
---|
602 | var_list.push_back(vari); |
---|
603 | cout << "Vector variable " << ip->get_token(pos+1) <<" " << vari.nr_dim() <<endl; |
---|
604 | lo_line = ip->get_line() ; |
---|
605 | if(todo_1) { |
---|
606 | lo_line.clear(); |
---|
607 | lo_line = " REAL(dp),dimension(VL_DIM) :: " + vari.name; |
---|
608 | } else { |
---|
609 | if(vari.nr_dim() == 0) { |
---|
610 | lo_line.clear(); |
---|
611 | lo_line = " REAL(dp),dimension(:),allocatable :: " + vari.name; |
---|
612 | } |
---|
613 | if(vari.nr_dim() == 1) { |
---|
614 | lo_line.clear(); |
---|
615 | lo_line = " REAL(dp),dimension(:,:),allocatable :: " + vari.name; |
---|
616 | } |
---|
617 | if(vari.nr_dim() == 2) { |
---|
618 | lo_line.clear(); |
---|
619 | lo_line = " REAL(dp),dimension(:,:,:),allocatable :: " + vari.name; |
---|
620 | } |
---|
621 | if(vari.nr_dim() == 3) { |
---|
622 | lo_line.clear(); |
---|
623 | lo_line = " REAL(dp),dimension(:,:,:,:),allocatable :: " + vari.name; |
---|
624 | } |
---|
625 | } |
---|
626 | ip->set_line(lo_line); |
---|
627 | } |
---|
628 | } |
---|
629 | |
---|
630 | return; |
---|
631 | } |
---|
632 | |
---|
633 | void fortran_file::print () { |
---|
634 | |
---|
635 | vector<program_line>::iterator ip; |
---|
636 | |
---|
637 | cout << " " <<endl; |
---|
638 | cout << "FORTRAN file " << name << endl; |
---|
639 | |
---|
640 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
641 | cout << ip->get_line() <<endl; |
---|
642 | } |
---|
643 | |
---|
644 | cout << " " <<endl; |
---|
645 | |
---|
646 | return; |
---|
647 | } |
---|
648 | |
---|
649 | void fortran_file::write_file (ofstream & out) { |
---|
650 | |
---|
651 | vector<program_line>::iterator ip; |
---|
652 | program_line pl; |
---|
653 | string lo_line; |
---|
654 | string line; |
---|
655 | |
---|
656 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
657 | ip->global_substitute(" ( ","("); |
---|
658 | ip->global_substitute(" ) ",")"); |
---|
659 | ip->global_substitute(" )",")"); |
---|
660 | ip->global_substitute("A (","A("); |
---|
661 | ip->global_substitute("B (","B("); |
---|
662 | ip->global_substitute("V (","V("); |
---|
663 | ip->global_substitute("Vdot (","Vdot("); |
---|
664 | ip->global_substitute("JVS (","JVS("); |
---|
665 | ip->global_substitute("RCT (","RCT("); |
---|
666 | ip->global_substitute("* ","*"); |
---|
667 | ip->global_substitute("* ","*"); |
---|
668 | // ip->global_substitute("d- ","d-"); |
---|
669 | // ip->global_substitute("d+ ","d+"); |
---|
670 | ip->global_substitute(", ",","); |
---|
671 | ip->global_substitute(")=",") ="); |
---|
672 | ip->global_substitute("dp,","dp, "); |
---|
673 | ip->global_substitute(", - ",", -"); |
---|
674 | |
---|
675 | // Replace Roundoff = WLAMCH('E') since WLAMCH does not work everywhere |
---|
676 | ip->global_substitute("Roundoff = WLAMCH('E')","roundoff = epsilon(one)"); |
---|
677 | // For vector version edit phot(nphot) from INLINE in chem_gasphase_mod.kpp |
---|
678 | if(kpp_switches.is_vector()) { |
---|
679 | ip->global_substitute("phot(nphot)","phot(vl_dim,nphot)"); |
---|
680 | } |
---|
681 | |
---|
682 | // Now do some cosmetics to adapt the KPP generated output a bit o the looks of PALM, |
---|
683 | // i.e. add some blanks, convert all to lowercase except Fortran language elements, etc. |
---|
684 | lo_line = ip->get_line(); |
---|
685 | if(lo_line.find("'",0) == string::npos) { // No substitution in line with strings |
---|
686 | if(lo_line.substr(0,2) =="! ") { |
---|
687 | ip->global_substitute("#","#"); // just a dummy so comments do not get lost |
---|
688 | } else { |
---|
689 | // cout << "HIER0 " << lo_line <<endl; |
---|
690 | // global_substitute(lo_line,"("," ( "); |
---|
691 | // global_substitute(lo_line,")"," ) "); |
---|
692 | global_substitute(lo_line,",",", "); |
---|
693 | global_substitute(lo_line,", ",", "); |
---|
694 | global_substitute(lo_line,") ",") "); |
---|
695 | global_substitute(lo_line,"*","* "); |
---|
696 | global_substitute(lo_line,"* *","**"); |
---|
697 | global_substitute(lo_line,")+",") +"); |
---|
698 | global_substitute(lo_line,")-",") -"); |
---|
699 | global_substitute(lo_line,")/",") /"); |
---|
700 | global_substitute(lo_line,")*",") *"); |
---|
701 | global_substitute(lo_line,")=",") ="); |
---|
702 | // global_substitute(lo_line,"-","- "); |
---|
703 | global_substitute(lo_line,"- ","- "); |
---|
704 | global_substitute(lo_line,"+","+ "); |
---|
705 | global_substitute(lo_line,"+ ","+ "); |
---|
706 | global_substitute(lo_line,"=- ","= -"); |
---|
707 | global_substitute(lo_line,"/JVS","/ JVS"); |
---|
708 | global_substitute(lo_line,"d- ","d-"); |
---|
709 | global_substitute(lo_line,"d+ ","d+"); |
---|
710 | global_substitute(lo_line,"D- ","D-"); |
---|
711 | global_substitute(lo_line,"D+ ","D+"); |
---|
712 | global_substitute(lo_line,"e- ","e-"); |
---|
713 | global_substitute(lo_line,"e+ ","e+"); |
---|
714 | global_substitute(lo_line,"E+ ","E+"); |
---|
715 | global_substitute(lo_line,"E- ","E-"); |
---|
716 | // Set all characters to lowercase |
---|
717 | ip->global_subtolower(lo_line); |
---|
718 | // Restore OMP directives: The next 2 lines are not only cosmetics! |
---|
719 | global_substitute(lo_line,"!$omp","!$OMP"); |
---|
720 | global_substitute(lo_line,"threadprivate","THREADPRIVATE"); |
---|
721 | |
---|
722 | global_substitute(lo_line,"allocated","ALLOCATED"); |
---|
723 | global_substitute(lo_line,"allocatable","ALLOCATABLE"); |
---|
724 | global_substitute(lo_line,".and. ",".AND. "); |
---|
725 | global_substitute(lo_line,"call ","CALL "); |
---|
726 | global_substitute(lo_line,"case","CASE"); |
---|
727 | global_substitute(lo_line,"character","CHARACTER"); |
---|
728 | global_substitute(lo_line,"contains","CONTAINS"); |
---|
729 | global_substitute(lo_line,"contiguous","CONTIGUOUS"); |
---|
730 | global_substitute(lo_line,"deallocate","DEALLOCATE"); |
---|
731 | global_substitute(lo_line,"allocate","ALLOCATE"); |
---|
732 | global_substitute(lo_line,"dimension","DIMENSION"); |
---|
733 | global_substitute(lo_line,"do ","DO "); |
---|
734 | global_substitute(lo_line,"elseif","ELSEIF"); |
---|
735 | global_substitute(lo_line,"else","ELSE"); |
---|
736 | global_substitute(lo_line,"#ELSE","#else"); |
---|
737 | global_substitute(lo_line,"end do","ENDDO"); |
---|
738 | global_substitute(lo_line,"end if","ENDIF"); |
---|
739 | global_substitute(lo_line,"endif","ENDIF"); |
---|
740 | global_substitute(lo_line,"endwhere","ENDWHERE"); |
---|
741 | global_substitute(lo_line,"end ","END "); // Modify "end" after all other strings containing "end..." are done! |
---|
742 | global_substitute(lo_line,"tEND","tend"); |
---|
743 | global_substitute(lo_line,"#ENDIF","#endif"); |
---|
744 | global_substitute(lo_line,"function","FUNCTION"); |
---|
745 | global_substitute(lo_line,"if(","IF ("); |
---|
746 | global_substitute(lo_line," if "," IF "); |
---|
747 | global_substitute(lo_line,"implicit","IMPLICIT"); |
---|
748 | global_substitute(lo_line,"include","INCLUDE"); |
---|
749 | global_substitute(lo_line,"intent","INTENT"); |
---|
750 | global_substitute(lo_line,"integer","INTEGER"); |
---|
751 | global_substitute(lo_line,"interface","INTERFACE"); |
---|
752 | global_substitute(lo_line,"logical","LOGICAL"); |
---|
753 | global_substitute(lo_line,"module","MODULE"); |
---|
754 | global_substitute(lo_line,"none","NONE"); |
---|
755 | global_substitute(lo_line,"only","ONLY"); |
---|
756 | global_substitute(lo_line,"optional","OPTIONAL"); |
---|
757 | global_substitute(lo_line,"parameter","PARAMETER"); |
---|
758 | global_substitute(lo_line,"pointer","POINTER"); |
---|
759 | global_substitute(lo_line,"present","PRESENT"); |
---|
760 | global_substitute(lo_line,"private","PRIVATE"); |
---|
761 | global_substitute(lo_line,"procedure","PROCEDURE"); |
---|
762 | global_substitute(lo_line,"public","PUBLIC"); |
---|
763 | global_substitute(lo_line,"real","REAL"); |
---|
764 | global_substitute(lo_line,"return","RETURN"); |
---|
765 | global_substitute(lo_line,"use ","USE "); |
---|
766 | global_substitute(lo_line,"save","SAVE"); |
---|
767 | global_substitute(lo_line,"subroutine","SUBROUTINE"); |
---|
768 | global_substitute(lo_line,"target","TARGET"); |
---|
769 | global_substitute(lo_line,"then","THEN"); |
---|
770 | global_substitute(lo_line,"where","WHERE"); |
---|
771 | global_substitute(lo_line,"while","WHILE"); |
---|
772 | global_substitute(lo_line,".false.",".FALSE."); |
---|
773 | global_substitute(lo_line,".true.",".TRUE."); |
---|
774 | global_substitute(lo_line,"(in)","(IN)"); |
---|
775 | global_substitute(lo_line,"(out)","(OUT)"); |
---|
776 | global_substitute(lo_line,"(inout)","(INOUT)"); |
---|
777 | global_substitute(lo_line,"\t"," "); |
---|
778 | |
---|
779 | // Skalar Version |
---|
780 | global_substitute(lo_line," REAL(kind=dp):: var(nvar)","! REAL(kind=dp):: var(nvar) var is now POINTER"); |
---|
781 | global_substitute(lo_line,"REAL(kind=dp):: c(nspec)","REAL(kind=dp), TARGET :: c(nspec)"); |
---|
782 | // Vektor Version |
---|
783 | global_substitute(lo_line," REAL(kind=dp):: var (vl_dim, nvar)","! REAL(kind=dp):: var (vl_dim, nvar) var is now POINTER"); |
---|
784 | global_substitute(lo_line,"REAL(kind=dp):: c (vl_dim, nspec)","REAL(kind=dp), TARGET :: c (vl_dim, nspec)"); |
---|
785 | |
---|
786 | // cout << "HIER1 " << lo_line <<endl; |
---|
787 | } |
---|
788 | } |
---|
789 | // pl.set_line(lo_line); |
---|
790 | // pline.push_back(pl); |
---|
791 | |
---|
792 | |
---|
793 | // line break if more than 130 character |
---|
794 | |
---|
795 | // lo_line = ip->get_line(); |
---|
796 | if( lo_line.size() < 130 ) { |
---|
797 | // out << ip->get_line() <<endl; |
---|
798 | out << lo_line <<endl; |
---|
799 | } else { |
---|
800 | int cp = lo_line.rfind("!",129); |
---|
801 | int pos = lo_line.rfind(" ",129); |
---|
802 | out << lo_line.substr(0,pos) << " &"<<endl; |
---|
803 | lo_line.erase (0,pos); |
---|
804 | if(ip->get_token (0).substr(0,1) == "!" || cp != string::npos ) { |
---|
805 | out << "! " << lo_line <<endl; // comment also in next line |
---|
806 | } else { |
---|
807 | out << " " << lo_line <<endl; |
---|
808 | } |
---|
809 | } |
---|
810 | } |
---|
811 | |
---|
812 | out << " " <<endl; |
---|
813 | |
---|
814 | return; |
---|
815 | } |
---|
816 | |
---|
817 | void fortran_file::copy_to_MZ_KPP (fortran_file & ka) { |
---|
818 | |
---|
819 | vector<program_line>::iterator ip; |
---|
820 | |
---|
821 | for (ip=pline.begin(); ip != pline.end(); ip++) { |
---|
822 | // Do not copy lines marked for delete |
---|
823 | if(ip->get_token(0) != "!DELETE") { |
---|
824 | ka.add_line( ip->get_line() ); |
---|
825 | } |
---|
826 | } |
---|
827 | |
---|
828 | return; |
---|
829 | } |
---|
830 | void fortran_file::global_substitute(string &line, string old_s, string new_s) { |
---|
831 | int pos; |
---|
832 | |
---|
833 | int start = line.size()-1; |
---|
834 | |
---|
835 | while (1) { |
---|
836 | pos = line.rfind (old_s, start); // look for string |
---|
837 | |
---|
838 | if (pos == string::npos) { |
---|
839 | break; |
---|
840 | } |
---|
841 | |
---|
842 | line.replace(pos,old_s.size(),new_s); |
---|
843 | |
---|
844 | start = pos-1; |
---|
845 | } |
---|
846 | |
---|
847 | return; |
---|
848 | } |
---|
849 | |
---|
850 | void fortran_file::global_subtolower(string &line) { |
---|
851 | |
---|
852 | int start = line.size()-1; |
---|
853 | char c; |
---|
854 | |
---|
855 | int i = 0; |
---|
856 | while (line[i]) |
---|
857 | { |
---|
858 | c = line[i]; |
---|
859 | line[i] = tolower(c); |
---|
860 | i++; |
---|
861 | } |
---|
862 | return; |
---|
863 | } |
---|