Newer
Older
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
/**********************************************************************
** This program is part of 'MOOSE', the
** Messaging Object Oriented Simulation Environment.
** Copyright (C) 2003-2012 Upinder S. Bhalla. and NCBS
** It is made available under the terms of the
** GNU Lesser General Public License version 2.1
** See the file COPYING.LIB for the full notice.
**********************************************************************/
#include <iomanip>
#include <fstream>
#include "../shell/Wildcard.h"
#include "header.h"
#include "../utility/utility.h"
#include "PoolBase.h"
#include "Pool.h"
#include "BufPool.h"
#include "ReacBase.h"
#include "EnzBase.h"
#include "lookupVolumeFromMesh.h"
#include <sstream>
#include <set>
void writeHeader( ofstream& fout,
double simdt, double plotdt, double maxtime, double defaultVol)
{
time_t rawtime;
time( &rawtime );
fout <<
"//genesis\n"
"// kkit Version 11 flat dumpfile\n\n";
fout << "// Saved on " << ctime( &rawtime ) << endl;
fout << "include kkit {argv 1}\n";
fout << "FASTDT = " << simdt << endl;
fout << "SIMDT = " << simdt << endl;
fout << "CONTROLDT = " << plotdt << endl;
fout << "PLOTDT = " << plotdt << endl;
fout << "MAXTIME = " << maxtime << endl;
fout << "TRANSIENT_TIME = 2\n"
"VARIABLE_DT_FLAG = 0\n";
fout << "DEFAULT_VOL = " << defaultVol << endl;
fout << "VERSION = 11.0\n"
"setfield /file/modpath value ~/scripts/modules\n"
"kparms\n\n";
fout <<
"initdump -version 3 -ignoreorphans 1\n"
"simobjdump table input output alloced step_mode stepsize x y z\n"
"simobjdump xtree path script namemode sizescale\n"
"simobjdump xcoredraw xmin xmax ymin ymax\n"
"simobjdump xtext editable\n"
"simobjdump xgraph xmin xmax ymin ymax overlay\n"
"simobjdump xplot pixflags script fg ysquish do_slope wy\n"
"simobjdump group xtree_fg_req xtree_textfg_req plotfield expanded movealone \\\n"
" link savename file version md5sum mod_save_flag x y z\n"
"simobjdump geometry size dim shape outside xtree_fg_req xtree_textfg_req x y z\n"
"simobjdump kpool DiffConst CoInit Co n nInit mwt nMin vol slave_enable \\\n"
" geomname xtree_fg_req xtree_textfg_req x y z\n"
"simobjdump kreac kf kb notes xtree_fg_req xtree_textfg_req x y z\n"
"simobjdump kenz CoComplexInit CoComplex nComplexInit nComplex vol k1 k2 k3 \\\n"
" keepconc usecomplex notes xtree_fg_req xtree_textfg_req link x y z\n"
"simobjdump stim level1 width1 delay1 level2 width2 delay2 baselevel trig_time \\\n"
" trig_mode notes xtree_fg_req xtree_textfg_req is_running x y z\n"
"simobjdump xtab input output alloced step_mode stepsize notes editfunc \\\n"
" xtree_fg_req xtree_textfg_req baselevel last_x last_y is_running x y z\n"
"simobjdump kchan perm gmax Vm is_active use_nernst notewriteReacs xtree_fg_req \\\n"
" xtree_textfg_req x y z\n"
"simobjdump transport input output alloced step_mode stepsize dt delay clock \\\n"
" kf xtree_fg_req xtree_textfg_req x y z\n"
"simobjdump proto x y z\n";
//"simundump geometry /kinetics/geometry 0 1.6667e-19 3 sphere \"\" white black 0 0 0\n\n";
}
string trimPath(Id id, Id comptid)
{
string msgpath = Field <string> :: get(id,"path");
ObjId compartment(msgpath);
string path1;
cout << " trimpath " << msgpath <<endl;
// triming the string compartment Level
while( Field<string>::get(compartment,"className") != "CubeMesh"
&& Field<string>::get(compartment,"className") != "CylMesh"
)
compartment = Field<ObjId> :: get(compartment, "parent");
string cmpt = Field < string > :: get(compartment,"name");
if (cmpt != "kinetics")
{ std::size_t found = msgpath.find(cmpt);
if (found !=std::string::npos)
path1 = msgpath.substr(found-1,msgpath.length());
else
{
path1 = msgpath;
}
}
else
{ std :: size_t found = msgpath.find(cmpt);
if (found !=std::string::npos)
{ string pathC = msgpath.substr(found-1,msgpath.length());
std :: size_t slash = pathC.find('/',found);
if (slash !=std::string::npos)
path1 = pathC.substr(slash,pathC.length());
else
{ path1 = msgpath;
}
}
}
cout << " path " << path1 << endl;
return path1;
}
Id getEnzCplx( Id id )
{
vector < Id > srct = LookupField <string,vector < Id> >::get(id, "neighbors","cplxDest");
return srct[0];
}
Id getEnzMol( Id id )
{
vector < Id > srct = LookupField <string,vector < Id> >::get(id, "neighbors","enzDest");
return srct[0];
}
void writeEnz( ofstream& fout, Id id,
string colour, string textcolour,
double x, double y, Id comptid )
{
string path = id.path();
string comptname = Field < string > :: get(comptid,"name");
string poolpath = trimPath(id,comptid);
double k1 = 0;
double k2 = 0;
double k3 = 0;
double nInit = 0;
double concInit = 0;
double n = 0;
double conc = 0;
Id enzMol = getEnzMol( id );
assert( enzMol != Id() );
double vol = Field< double >::get( enzMol, "volume" ) * NA * 1e-3;
unsigned int isMichaelisMenten = 0;
string enzClass = Field < string > :: get(id,"className");
if (enzClass == "ZombieMMenz" or enzClass == "MMenz")
{ k1 = Field < double > :: get (id,"numKm");
k3 = Field < double > :: get (id,"kcat");
k2 = 4.0*k3;
k1 = (k2 + k3) / k1;
isMichaelisMenten = 1;
}
else if (enzClass == "ZombieEnz" or enzClass == "Enz")
{ k1 = Field< double >::get( id, "k1" );
k2 = Field< double >::get( id, "k2" );
k3 = Field< double >::get( id, "k3" );
Id cplx = getEnzCplx( id );
assert( cplx != Id() );
nInit = Field< double >::get( cplx, "nInit" );
n = Field< double >::get( cplx, "n" );
concInit = Field< double >::get( cplx, "concInit" );
conc = Field< double >::get( cplx, "conc" );
}
fout << "simundump kenz /kinetics" << poolpath << " 0 " <<
concInit << " " <<
conc << " " <<
nInit << " " <<
n << " " <<
vol << " " <<
k1 << " " <<
k2 << " " <<
k3 << " " <<
0 << " " <<
isMichaelisMenten << " " <<
"\"\"" << " " <<
colour << " " << textcolour << " \"\"" <<
" " << x << " " << y << " 0\n";
}
void writeReac( ofstream& fout, Id id,
string colour, string textcolour,
double x, double y, Id comptid )
{
string reacPar = Field <string> :: get(comptid,"name");
string reacname = Field<string> :: get(id, "name");
double kf = Field< double >::get( id, "numKf" );
double kb = Field< double >::get( id, "numKb" );
unsigned int numSub =
Field< unsigned int >::get( id, "numSubstrates" );
unsigned int numPrd =
Field< unsigned int >::get( id, "numProducts" );
fout << "simundump kreac /kinetics" << trimPath(id,comptid) << " 0 " <<
kf << " " << kb << " \"\" " <<
colour << " " << textcolour << " " << x << " " << y << " 0\n";
}
unsigned int getSlaveEnable( Id id )
{
static const Finfo* setNinitFinfo =
PoolBase::initCinfo()->findFinfo( "set_nInit" );
static const Finfo* setConcInitFinfo =
PoolBase::initCinfo()->findFinfo( "set_concInit" );
unsigned int ret = 0;
vector< Id > src;
if ( id.element()->cinfo()->isA( "BufPool" ) ) {
if ( id.element()->getNeighbors( src, setConcInitFinfo ) > 0 ) {
ret = 2;
} else if ( id.element()->getNeighbors( src, setNinitFinfo ) > 0 ){
ret = 4;
}
} else {
return 0;
}
if ( ret == 0 )
return 4; // Just simple buffered molecule
if ( src[0].element()->cinfo()->isA( "StimulusTable" ) )
return ret; // Following a table, this is fine.
// Fallback: I have no idea what sent it the input, assume it is legit.
return ret;
}
void writePool( ofstream& fout, Id id,
string colour, string textcolour,
double x, double y, Id comptid,int comptIndex )
{
string poolPar = Field <string> :: get(comptid,"name");
string pooltype = Field < string > :: get(id,"className");
double diffConst = Field< double >::get( id, "diffConst" );
double concInit = Field< double >::get( id, "concInit" );
//double conc = Field< double >::get( id, "conc" );
double nInit = Field< double >::get( id, "nInit" );
//double n = Field< double >::get( id, "n" );
double volume = Field< double >::get( id, "volume" );
string geometry;
stringstream geometryTemp ;
unsigned int slave_enable = 0;
if (pooltype == "BufPool" or pooltype == "ZombieBufPool")
{ vector< Id > children = Field< vector< Id > >::get( id, "children" );
if (children.size() == 0)
slave_enable = 4;
for ( vector< Id >::iterator i = children.begin(); i != children.end(); ++i )
{ string funcpath = Field <string> :: get(*i,"path");
string clsname = Field <string> :: get(*i,"className");
if (clsname == "Function" or clsname == "ZombieFunction")
slave_enable = 0;
else
slave_enable = 4;
}
}
if (comptIndex > 0)
geometryTemp << "/geometry[" << comptIndex <<"]";
else
geometryTemp << "/geometry";
// simobjdump kpool DiffConst CoInit Co n nInit mwt nMin vol slave_enable
fout << "simundump kpool /kinetics" << trimPath(id,comptid) << " 0 " <<
diffConst << " " <<
0 << " " <<
0 << " " <<
0 << " " <<
nInit << " " <<
0 << " " << 0 << " " << // mwt, nMin
volume * NA * 1e-3 << " " << // volscale
slave_enable << //GENESIS FIELD HERE.
" /kinetics"<< geometryTemp.str() << " " <<
colour << " " << textcolour << " " << x << " " << y << " 0\n";
}
void writePlot( ofstream& fout, Id id,
string colour, string textcolour,
double x, double y )
{
string path = id.path();
size_t pos = path.find( "/graphs" );
if ( pos == string::npos )
pos = path.find( "/moregraphs" );
if ( pos == string::npos )
return;
path = path.substr( pos );
fout << "simundump xplot " << path << " 3 524288 \\\n" <<
"\"delete_plot.w <s> <d>; edit_plot.D <w>\" " << textcolour << " 0 0 1\n";
}
void writeGui( ofstream& fout )
{
fout << "simundump xgraph /graphs/conc1 0 0 99 0.001 0.999 0\n"
"simundump xgraph /graphs/conc2 0 0 100 0 1 0\n"
"simundump xgraph /moregraphs/conc3 0 0 100 0 1 0\n"
"simundump xgraph /moregraphs/conc4 0 0 100 0 1 0\n"
"simundump xcoredraw /edit/draw 0 -6 4 -2 6\n"
"simundump xtree /edit/draw/tree 0 \\\n"
" /kinetics/#[],/kinetics/#[]/#[],/kinetics/#[]/#[]/#[][TYPE!=proto],/kinetics/#[]/#[]/#[][TYPE!=linkinfo]/##[] \"edit_elm.D <v>; drag_from_edit.w <d> <S> <x> <y> <z>\" auto 0.6\n"
"simundump xtext /file/notes 0 1\n";
}
void writeFooter( ofstream& fout )
{
fout << "\nenddump\n";
fout << "complete_loading\n";
}
void storeMMenzMsgs( Id enz, vector< string >& msgs, Id comptid )
{
Id enzparentId = Field <ObjId> :: get(enz,"parent");
string enzPar = Field <string> :: get(enzparentId,"name");
string enzName = Field<string> :: get(enz,"name");
vector < Id > srct = LookupField <string,vector < Id> >::get(enz, "neighbors","sub");
for (vector <Id> :: iterator rsub = srct.begin();rsub != srct.end();rsub++)
{
string s = "addmsg /kinetics" + trimPath(*rsub, comptid) + " /kinetics" + trimPath(enz, comptid) + " SUBSTRATE n";
msgs.push_back( s );
s = "addmsg /kinetics" + trimPath(enz, comptid) + " /kinetics" + trimPath( *rsub, comptid ) + " REAC sA B";
msgs.push_back( s );
}
vector < Id > prct = LookupField <string,vector < Id> >::get(enz, "neighbors","prd");
for (vector <Id> :: iterator rprd = prct.begin();rprd != prct.end();rprd++)
{
string s = "addmsg /kinetics" + trimPath( enz, comptid ) + " /kinetics" + trimPath(*rprd, comptid) + " MM_PRD pA";
msgs.push_back( s );
}
vector < Id > enzC = LookupField <string,vector < Id> >::get(enz, "neighbors","enzDest");
for (vector <Id> :: iterator enzCl = enzC.begin();enzCl != enzC.end();enzCl++)
{
string s = "addmsg /kinetics" + trimPath( *enzCl, comptid ) + " /kinetics" + trimPath(enz, comptid) + " ENZYME n";
msgs.push_back( s );
}
}
void storeCplxEnzMsgs( Id enz, vector< string >& msgs, Id comptid )
{ Id enzparentId = Field <ObjId> :: get(enz,"parent");
string enzPar = Field <string> :: get(enzparentId,"name");
string enzName = Field<string> :: get(enz,"name");
vector < Id > srct = LookupField <string,vector < Id> >::get(enz, "neighbors","sub");
for (vector <Id> :: iterator rsub = srct.begin();rsub != srct.end();rsub++)
{
string s = "addmsg /kinetics" + trimPath(*rsub, comptid) + " /kinetics" + trimPath(enz, comptid) + " SUBSTRATE n";
msgs.push_back( s );
s = "addmsg /kinetics" + trimPath(enz, comptid) + " /kinetics" + trimPath( *rsub, comptid ) + " REAC sA B";
msgs.push_back( s );
}
vector < Id > prct = LookupField <string,vector < Id> >::get(enz, "neighbors","prd");
for (vector <Id> :: iterator rprd = prct.begin();rprd != prct.end();rprd++)
{
string s = "addmsg /kinetics" + trimPath( enz, comptid ) + " /kinetics" + trimPath(*rprd, comptid) + " MM_PRD pA";
msgs.push_back( s );
}
vector < Id > enzC = LookupField <string,vector < Id> >::get(enz, "neighbors","enzOut");
for (vector <Id> :: iterator enzCl = enzC.begin();enzCl != enzC.end();enzCl++)
{
string s = "addmsg /kinetics" + trimPath( *enzCl, comptid ) + " /kinetics" + trimPath(enz, comptid) + " ENZYME n";
msgs.push_back( s );
s = "addmsg /kinetics" + trimPath( enz, comptid ) + " /kinetics" + trimPath(*enzCl, comptid) + " REAC eA B";
msgs.push_back( s );
}
}
void storeEnzMsgs( Id enz, vector< string >& msgs, Id comptid )
{
string enzClass = Field < string > :: get(enz,"className");
if (enzClass == "ZombieMMenz" or enzClass == "MMenz")
storeMMenzMsgs(enz, msgs, comptid);
else
storeCplxEnzMsgs( enz, msgs, comptid );
}
void storeReacMsgs( Id reac, vector< string >& msgs, Id comptid )
{
vector < Id > srct = LookupField <string,vector < Id> >::get(reac, "neighbors","sub");
for (vector <Id> :: iterator rsub = srct.begin();rsub != srct.end();rsub++)
{ string s = "addmsg /kinetics" + trimPath(*rsub, comptid) + " /kinetics" + trimPath(reac, comptid) + " SUBSTRATE n";
msgs.push_back( s );
s = "addmsg /kinetics" + trimPath(reac, comptid) + " /kinetics" + trimPath( *rsub, comptid ) + " REAC A B";
msgs.push_back( s );
}
vector < Id > prct = LookupField <string,vector < Id> >::get(reac, "neighbors","prd");
for (vector <Id> :: iterator rprd = prct.begin();rprd != prct.end();rprd++)
{ string rpath = Field <string> :: get(reac,"path");
string cpath = Field <string> :: get(comptid,"path");
string prdPath = Field <string> :: get(*rprd,"path");
string s = "addmsg /kinetics" + trimPath( *rprd, comptid ) + " /kinetics" + trimPath(reac, comptid) + " PRODUCT n";
msgs.push_back( s );
s = "addmsg /kinetics" + trimPath(reac, comptid) + " /kinetics" + trimPath( *rprd,comptid ) + " REAC B A";
msgs.push_back( s );
}
}
void storeFunctionMsgs( Id func, vector< string >& msgs,map < double, pair<Id, int> > & compt_vol )
{
// Get the msg sources into this Function object.
ObjId poolPath = Neutral::parent( func.eref() );
double poolvol = Field < double > :: get(poolPath,"Volume");
Id poolParentId = compt_vol[poolvol].first;
string poolParent = Field <string> :: get(compt_vol[poolvol].first,"name");
Id xi(func.value()+1);
vector < Id > func_input = LookupField <string,vector < Id> >::get(xi, "neighbors","input");
for (vector <Id> :: iterator funcIp = func_input.begin();funcIp != func_input.end();funcIp++)
{ string funcIp_path = Field < string > :: get(*funcIp,"path");
double vol = Field < double > :: get(*funcIp,"Volume");
Id parentId = compt_vol[vol].first;
string parentname = Field <string> :: get(parentId,"name");
string s = "addmsg /kinetics" + trimPath(*funcIp, parentId)+ " /kinetics" + trimPath(poolPath,poolParentId) +
" SUMTOTAL n nInit";
msgs.push_back(s);
}
}
void storePlotMsgs( Id tab, vector< string >& msgs, Id pool, string bg, Id comptid)
{ string tabPath = tab.path();
string poolPath = Field <string> :: get(pool,"path");
string poolName = Field <string> :: get(pool,"name");
size_t pos = tabPath.find( "/graphs" );
if ( pos == string::npos )
pos = tabPath.find( "/moregraphs" );
assert( pos != string::npos );
tabPath = tabPath.substr( pos );
string s = "addmsg /kinetics" + trimPath( poolPath, comptid) + " " + tabPath +
" PLOT Co *" + poolName + " *" + bg;
msgs.push_back( s );
}
/**
* A bunch of heuristics to find good SimTimes to use for kkit.
* Returns runTime.
*/
double estimateSimTimes( double& simDt, double& plotDt )
{
double runTime = Field< double >::get( Id( 1 ), "runTime" );
if ( runTime <= 0 )
runTime = 100.0;
vector< double > dts =
Field< vector< double> >::get( Id( 1 ), "dts" );
simDt = dts[11];
plotDt = dts[18];
cout << "estimatesimtimes" << simDt << plotDt;
if ( plotDt <= 0 )
plotDt = runTime / 200.0;
if ( simDt == 0 )
simDt = 0.01;
if ( simDt > plotDt )
simDt = plotDt / 100;
return runTime;
}
/// Returns an estimate of the default volume used in the model.
double estimateDefaultVol( Id model )
{
vector< Id > children =
Field< vector< Id > >::get( model, "children" );
vector< double > vols;
double maxVol = 0;
for ( vector< Id >::iterator i = children.begin();
i != children.end(); ++i ) {
if ( i->element()->cinfo()->isA( "ChemCompt" ) ) {
double v = Field< double >::get( *i, "volume" );
if ( i->element()->getName() == "kinetics" )
return v;
vols.push_back( v );
if ( maxVol < v )
maxVol = v;
}
}
if ( maxVol > 0 )
return maxVol;
return 1.0e-15;
}
void writeMsgs( ofstream& fout, const vector< string >& msgs )
{
for ( vector< string >::const_iterator i = msgs.begin();
i != msgs.end(); ++i )
fout << *i << endl;
}
void writeGroup(ofstream& fout,Id model)
{
vector < ObjId> group;
int x = 10;
int y = 20;
int num = wildcardFind( model.path() + "/##[TYPE=Neutral]", group );
for ( vector< ObjId >::iterator itr = group.begin(); itr != group.end();itr++)
{
string path = Field<string>::get(*itr,"path");
size_t pos = path.find( "/kinetics" );
if (pos != std::string::npos)
{
path = path.substr( pos );
fout << "simundump group " << path << " 0 " <<
"blue" << " " << "green" << " x 0 0 \"\" defaultfile \\\n";
fout << " defaultfile.g 0 0 0 " << x << " " << y << " 0\n";
}
}
}
void writeKkit( Id model, const string& fname )
{ ofstream fout( fname.c_str(), ios::out );
vector< ObjId > chemCompt;
vector< string > msgs;
double simDt;
double plotDt;
double runTime = estimateSimTimes( simDt, plotDt );
double defaultVol = estimateDefaultVol( model );
writeHeader( fout, simDt, plotDt, runTime, defaultVol );
string bg = "cyan";
string fg = "black";
double x = 0;
double y = 0;
map < double, pair<Id, int> > compt_vol;
unsigned int num = wildcardFind( model.path() + "/##[ISA=ChemCompt]", chemCompt );
if ( num == 0 ) {
cout << "Warning: writeKkit:: No model found on " << model <<
endl;
return;
}
for ( vector< ObjId >::iterator itr = chemCompt.begin(); itr != chemCompt.end();itr++)
{
vector < unsigned int>dims;
unsigned int dims_size;
dims_size = 1;
unsigned index = 0;
string comptPath = Field<string>::get(*itr,"path");
string comptname = Field<string>::get(*itr,"name");
if (comptname != "kinetics")
{
fout << "simundump group /kinetics/" << comptname << " 0 " <<
"blue" << " " << "green" << " x 0 0 \"\" defaultfile \\\n";
fout << " defaultfile.g 0 0 0 " << rand() % 10 + 1 << " " << rand() % 10 + 1 << " 0\n";
}
double size = Field<double>::get(ObjId(*itr,index),"Volume");
unsigned int ndim = Field<unsigned int>::get(ObjId(*itr,index),"NumDimensions");
ostringstream geometry;
int vecIndex = itr-chemCompt.begin();
if (vecIndex > 0)
geometry << "simundump geometry /kinetics" << "/geometry[" << vecIndex <<"] 0 " << size << " " << ndim << " sphere " <<" \"\" white black 0 0 0\n";
else
geometry << "simundump geometry /kinetics" << "/geometry 0 " << size << " " << ndim << " sphere " <<" \"\" white black 0 0 0\n";
fout << geometry.str();
compt_vol.insert(make_pair(size,make_pair(*itr,vecIndex)));
} // compartmentclose
writeGroup(fout, model);
map<double, pair<Id, int> >::iterator compt;
for (compt = compt_vol.begin(); compt != compt_vol.end(); compt++)
{
string comptPath = Field<string>::get(compt->second.first,"path");
// Species
vector< ObjId > Compt_spe;
wildcardFind(comptPath+"/##[ISA=PoolBase]",Compt_spe);
int species_size = 1;
string objname;
for (vector <ObjId> :: iterator itrp = Compt_spe.begin();itrp != Compt_spe.end();itrp++)
{ string path = Field <string> :: get (*itrp,"path");
Id enzPoolparent = Field <ObjId> :: get(*itrp,"parent");
string enzpoolClass = Field <string> :: get(enzPoolparent,"className");
if (enzpoolClass != "ZombieEnz" or enzpoolClass != "Enz")
{ Id annotaId( path+"/info");
if ( annotaId != Id() )
{ double x = Field <double> :: get(annotaId,"x");
double y = Field <double> :: get(annotaId,"y");
string fg = Field <string> :: get(annotaId,"textColor");
string bg = Field <string> :: get(annotaId,"color");
writePool(fout, *itrp,bg,fg,x,y,compt->second.first,compt->second.second);
}
}
} //species is closed
vector< ObjId > Compt_Func;
wildcardFind(comptPath+"/##[ISA=Function]",Compt_Func);
for (vector <ObjId> :: iterator itrF= Compt_Func.begin();itrF != Compt_Func.end();itrF++)
{ storeFunctionMsgs( *itrF, msgs,compt_vol);
}
// Reaction
vector< ObjId > Compt_Reac;
wildcardFind(comptPath+"/##[ISA=ReacBase]",Compt_Reac);
for (vector <ObjId> :: iterator itrR= Compt_Reac.begin();itrR != Compt_Reac.end();itrR++)
{
string path = Field<string> :: get(*itrR,"path");
Id annotaId( path+"/info");
string noteClass = Field<string> :: get(annotaId,"className");
string notes;
double x = Field <double> :: get(annotaId,"x");
double y = Field <double> :: get(annotaId,"y");
string fg = Field <string> :: get(annotaId,"textColor");
string bg = Field <string> :: get(annotaId,"color");
writeReac( fout, *itrR, bg, fg, x, y, compt->second.first);
storeReacMsgs( *itrR, msgs, compt->second.first );
}// reaction
vector< ObjId > Compt_Enz;
wildcardFind(comptPath+"/##[ISA=EnzBase]",Compt_Enz);
for (vector <ObjId> :: iterator itrE= Compt_Enz.begin();itrE != Compt_Enz.end();itrE++)
{ string path = Field<string> :: get(*itrE,"path");
Id annotaId( path+"/info");
string noteClass = Field<string> :: get(annotaId,"className");
string notes;
double x = Field <double> :: get(annotaId,"x");
double y = Field <double> :: get(annotaId,"y");
string fg = Field <string> :: get(annotaId,"textColor");
string bg = Field <string> :: get(annotaId,"color");
writeEnz( fout, *itrE, bg, fg, x, y, compt->second.first);
storeEnzMsgs( *itrE, msgs, compt->second.first);
}// reaction
} //compatment loop
writeGui ( fout);
/* Table */
vector< ObjId > table;
wildcardFind(model.path()+"/##[ISA=Table2]",table);
for (vector <ObjId> :: iterator itrT= table.begin();itrT != table.end();itrT++)
{ string tabPath = Field <string> :: get(*itrT,"path");
vector < Id > tabSrc = LookupField <string,vector < Id> >::get(*itrT, "neighbors","requestOut");
for (vector <Id> :: iterator tabItem= tabSrc.begin();tabItem != tabSrc.end();tabItem++)
{ string path = Field <string> :: get(*tabItem,"path");
double vol = Field < double> :: get (*tabItem,"Volume");
//Trying to find the compartment name via volume
//otherwise if we go via parent, sometimes it might
// get groupname so maped compartment Id and volume
Id parentId = compt_vol[vol].first;
string parentname = Field <string> :: get(parentId,"name");
Id annotaId(path+"/info");
double x = Field <double> :: get(annotaId,"x");
double y = Field <double> :: get(annotaId,"y");
string bg = Field <string> :: get(annotaId,"textColor");
string fg = Field <string> :: get(annotaId,"color");
writePlot( fout, *itrT, bg, fg, x, y );
storePlotMsgs( *itrT, msgs,*tabItem,fg, parentId);
}
}// table
writeMsgs( fout, msgs );
writeFooter( fout );
}