Rev 17747 | Show entire file | Ignore whitespace | Details | Blame | Last modification | View Log | RSS feed
| Rev 17747 | Rev 17770 | ||
|---|---|---|---|
| Line 301... | Line 301... | ||
| 301 | if(ch>0) o << "+"; else o << "-"; |
301 | if(ch>0) o << "+"; else o << "-"; |
| 302 | } |
302 | } |
| 303 | // the aqueous type is the default, so: no _(aq) |
303 | // the aqueous type is the default, so: no _(aq) |
| 304 | // to have this suffix, on must make the type to aqueous_explicit |
304 | // to have this suffix, on must make the type to aqueous_explicit |
| 305 | if (!iswater() && !iselectron() && t != aqueous) o << "_" << moltypeStr[t]; |
305 | if (!iswater() && !iselectron() && t != aqueous) o << "_" << moltypeStr[t]; |
| - | 306 | } |
|
| - | 307 | ||
| - | 308 | /** |
|
| - | 309 | * Affiche le coefficient stœchimétrique |
|
| - | 310 | * @param o un flux de sortie |
|
| - | 311 | * @param sign plus ou moins un selon que c'est un produit ou un réactif. |
|
| - | 312 | **/ |
|
| - | 313 | void Molec::printcoeff(std::ostream & o, int sign)const{ |
|
| - | 314 | o << nb * sign; |
|
| 306 | } |
315 | } |
| 307 | 316 | ||
| 308 | void Molec::coeff( fraction f){ |
317 | void Molec::coeff( fraction f){ |
| 309 | nb.i *= f.i; |
318 | nb.i *= f.i; |
| 310 | nb.d *= f.d; |
319 | nb.d *= f.d; |
| Line 325... | Line 334... | ||
| 325 | if(fabs(1.0*ch)!=1) o << fabs(1.0*ch); |
334 | if(fabs(1.0*ch)!=1) o << fabs(1.0*ch); |
| 326 | if(ch>0) o << "+}"; else o << "-}"; |
335 | if(ch>0) o << "+}"; else o << "-}"; |
| 327 | } |
336 | } |
| 328 | if (t != aqueous) o << "_{" << moltypeStr[t] << "}"; |
337 | if (t != aqueous) o << "_{" << moltypeStr[t] << "}"; |
| 329 | o <<"]"; |
338 | o <<"]"; |
| 330 | if (nb!=1) { |
339 | if (nb!=1) { |
| 331 | o << "^{"; |
340 | o << "^{"; |
| 332 | printNombre(o); |
341 | printNombre(o); |
| 333 | o << "}"; |
342 | o << "}"; |
| 334 | } |
343 | } |
| 335 | return 1; |
344 | return 1; |
| 336 | case gas : |
345 | case gas : |
| 337 | o << prefix << "P_{" << *al << "}"; |
346 | o << prefix << "P_{" << *al << "}"; |
| 338 | if (nb!=1) { |
347 | if (nb!=1) { |
| 339 | o << "^{"; |
348 | o << "^{"; |
| 340 | printNombre(o); |
349 | printNombre(o); |
| 341 | o << "}"; |
350 | o << "}"; |
| 342 | } |
351 | } |
| 343 | return 1; |
352 | return 1; |
| 344 | } |
353 | } |
| 345 | return 0; |
354 | return 0; |
| 346 | } |
355 | } |
| 347 | 356 | ||
| Line 357... | Line 366... | ||
| 357 | } |
366 | } |
| 358 | case aqueous : |
367 | case aqueous : |
| 359 | case aqueous_explicit : |
368 | case aqueous_explicit : |
| 360 | if(wantedlatex){ |
369 | if(wantedlatex){ |
| 361 | o << "[" << *al; |
370 | o << "[" << *al; |
| 362 | }else{ |
371 | }else{ |
| 363 | o << "["; al->printnorm(o); |
372 | o << "["; al->printnorm(o); |
| 364 | } |
373 | } |
| 365 | if (ch){ |
374 | if (ch){ |
| 366 | if(wantedlatex){ |
375 | if(wantedlatex){ |
| 367 | o << "^{"; |
376 | o << "^{"; |
| Line 371... | Line 380... | ||
| 371 | if(fabs(1.0*ch)!=1) o << fabs(1.0*ch); |
380 | if(fabs(1.0*ch)!=1) o << fabs(1.0*ch); |
| 372 | if(wantedlatex){ |
381 | if(wantedlatex){ |
| 373 | if(ch>0) o << "+}"; else o << "-}"; |
382 | if(ch>0) o << "+}"; else o << "-}"; |
| 374 | }else{ |
383 | }else{ |
| 375 | if(ch>0) o << "+"; else o << "-"; |
384 | if(ch>0) o << "+"; else o << "-"; |
| 376 | } |
385 | } |
| 377 | } |
386 | } |
| 378 | o <<"]"; |
387 | o <<"]"; |
| 379 | if (nb!=1) { |
388 | if (nb!=1) { |
| 380 | if(wantedlatex){ |
389 | if(wantedlatex){ |
| 381 | o << "^{"; |
390 | o << "^{"; |
| 382 | if (nb.d==1){ |
391 | if (nb.d==1){ |
| 383 | o << nb.i ; |
392 | o << nb.i ; |
| 384 | } |
393 | } |
| 385 | else { |
394 | else { |
| 386 | o << "\\frac{" << nb.i << "}{" << nb.d << "}"; |
395 | o << "\\frac{" << nb.i << "}{" << nb.d << "}"; |
| 387 | } |
396 | } |
| 388 | o << "}"; |
397 | o << "}"; |
| 389 | }else{ |
398 | }else{ |
| 390 | o << "^" << nb; |
399 | o << "^" << nb; |
| 391 | } |
400 | } |
| 392 | } |
401 | } |
| 393 | return true; |
402 | return true; |
| 394 | case gas : |
403 | case gas : |
| 395 | if(wantedlatex){ |
404 | if(wantedlatex){ |
| Line 412... | Line 421... | ||
| 412 | } |
421 | } |
| 413 | } |
422 | } |
| 414 | return true; |
423 | return true; |
| 415 | } |
424 | } |
| 416 | return false; |
425 | return false; |
| 417 | } |
426 | } |
| 418 | 427 | ||
| 419 | bool Molec::iswater()const{ |
428 | bool Molec::iswater()const{ |
| 420 | if (t != aqueous) return 0; |
429 | if (t != aqueous) return 0; |
| 421 | if (signature()==std::string("\\mathrm{H}_{2}\\mathrm{O}") || |
430 | if (signature()==std::string("\\mathrm{H}_{2}\\mathrm{O}") || |
| 422 | signature()==std::string("\\mathrm{O}\\mathrm{H}_{2}")) return 1; |
431 | signature()==std::string("\\mathrm{O}\\mathrm{H}_{2}")) return 1; |
| Line 444... | Line 453... | ||
| 444 | if (nb.d==1){ |
453 | if (nb.d==1){ |
| 445 | o << nb.i << "\\,"; |
454 | o << nb.i << "\\,"; |
| 446 | } |
455 | } |
| 447 | else { |
456 | else { |
| 448 | o << "\\frac{" << nb.i << "}{" << nb.d << "}\\,"; |
457 | o << "\\frac{" << nb.i << "}{" << nb.d << "}\\,"; |
| 449 | } |
458 | } |
| 450 | } |
459 | } |
| 451 | 460 | ||
| 452 | std::ostream & operator << (std::ostream & o, const Molec & m){ |
461 | std::ostream & operator << (std::ostream & o, const Molec & m){ |
| 453 | if (m.nombre() != 1) m.printNombre(o); |
462 | if (m.nombre() != 1) m.printNombre(o); |
| 454 | o << m.liste(); |
463 | o << m.liste(); |
| 455 | if (m.charge()){ |
464 | if (m.charge()){ |
| Line 465... | Line 474... | ||
| 465 | // returns the index of a molecule with the same atomlist if any |
474 | // returns the index of a molecule with the same atomlist if any |
| 466 | // else returns -1. |
475 | // else returns -1. |
| 467 | int result=-1; |
476 | int result=-1; |
| 468 | for(unsigned int i=0; i<size(); i++){ |
477 | for(unsigned int i=0; i<size(); i++){ |
| 469 | if ((*this)[i]->eqMol(m)) result=i; |
478 | if ((*this)[i]->eqMol(m)) result=i; |
| 470 | } |
479 | } |
| 471 | return result; |
480 | return result; |
| 472 | } |
481 | } |
| 473 | 482 | ||
| 474 | void Membre::addMol(const Molec * m){ |
483 | void Membre::addMol(const Molec * m){ |
| 475 | int i = findMol(m); |
484 | int i = findMol(m); |
| 476 | if (i < 0){ |
485 | if (i < 0){ |
| 477 | push_back(new Molec(*m)); |
486 | push_back(new Molec(*m)); |
| Line 553... | Line 562... | ||
| 553 | 562 | ||
| 554 | void Membre::printnorm(std::ostream & o) const{ |
563 | void Membre::printnorm(std::ostream & o) const{ |
| 555 | for(unsigned int i=0; i < size(); i++){ |
564 | for(unsigned int i=0; i < size(); i++){ |
| 556 | operator[](i)->printnorm(o); |
565 | operator[](i)->printnorm(o); |
| 557 | if (i < size()-1) o << " + "; |
566 | if (i < size()-1) o << " + "; |
| - | 567 | } |
|
| - | 568 | } |
|
| - | 569 | ||
| - | 570 | /** |
|
| - | 571 | * affiche les coefficients stœchiométriques d'un membre d'équation |
|
| - | 572 | * @param o un flux de sortie |
|
| - | 573 | * @param sign la valeur plus ou moins un selon que les réactifs sont produits |
|
| - | 574 | * ou consommés. |
|
| - | 575 | **/ |
|
| - | 576 | void Membre::printcoeff(std::ostream & o, int sign) const{ |
|
| - | 577 | for(unsigned int i=0; i < size(); i++){ |
|
| - | 578 | operator[](i)->printcoeff(o, sign); |
|
| - | 579 | if (i < size()-1) o << ","; |
|
| 558 | } |
580 | } |
| 559 | } |
581 | } |
| 560 | 582 | ||
| 561 | void Membre::printweight(std::ostream & o) const{ |
583 | void Membre::printweight(std::ostream & o) const{ |
| 562 | for(unsigned int i=0; i < size(); i++){ |
584 | for(unsigned int i=0; i < size(); i++){ |
| Line 632... | Line 654... | ||
| 632 | 654 | ||
| 633 | Membre operator & (Membre & m1, Membre & m2){ |
655 | Membre operator & (Membre & m1, Membre & m2){ |
| 634 | Membre result; |
656 | Membre result; |
| 635 | //result.printnorm(std::cout); |
657 | //result.printnorm(std::cout); |
| 636 | fraction min(1); |
658 | fraction min(1); |
| 637 | for(Membre::iterator i = m1.begin(); i < m1.end(); i++){ |
659 | for(Membre::iterator i = m1.begin(); i < m1.end(); i++){ |
| 638 | for(Membre::iterator j = m2.begin(); j < m2.end(); j++){ |
660 | for(Membre::iterator j = m2.begin(); j < m2.end(); j++){ |
| 639 | if ((*i)->eqMol(*j)){ |
661 | if ((*i)->eqMol(*j)){ |
| 640 | Molec *m = new Molec(**i); |
662 | Molec *m = new Molec(**i); |
| 641 | if ((*i)->nb > (*j)->nb){ |
663 | if ((*i)->nb > (*j)->nb){ |
| 642 | min=(*j)->nb; |
664 | min=(*j)->nb; |
| Line 743... | Line 765... | ||
| 743 | if (cste!=std::string("")) o << cste << " = "; |
765 | if (cste!=std::string("")) o << cste << " = "; |
| 744 | o << val; |
766 | o << val; |
| 745 | if (redox()) o << " V"; |
767 | if (redox()) o << " V"; |
| 746 | o << ")"; |
768 | o << ")"; |
| 747 | } |
769 | } |
| - | 770 | } |
|
| - | 771 | ||
| - | 772 | /** |
|
| - | 773 | * Affiche les coefficients stœchiométriques |
|
| - | 774 | **/ |
|
| - | 775 | void Chemeq::printcoeff(std::ostream & o) const { |
|
| - | 776 | gauche->printcoeff(o, -1); |
|
| - | 777 | o << ";"; |
|
| - | 778 | droit->printcoeff(o, 1); |
|
| 748 | } |
779 | } |
| 749 | 780 | ||
| 750 | void Chemeq::printcount(std::ostream & o) const { |
781 | void Chemeq::printcount(std::ostream & o) const { |
| 751 | gauche->printcount(o); |
782 | gauche->printcount(o); |
| 752 | o << "; "; |
783 | o << "; "; |