Rev 472 | Rev 6770 | Go to most recent revision | Show entire file | Ignore whitespace | Details | Blame | Last modification | View Log | RSS feed
| Rev 472 | Rev 820 | ||
|---|---|---|---|
| Line 190... | Line 190... | ||
| 190 | if (al->groupe()) al->groupe(triage(al->groupe())); |
190 | if (al->groupe()) al->groupe(triage(al->groupe())); |
| 191 | } |
191 | } |
| 192 | return al; |
192 | return al; |
| 193 | } |
193 | } |
| 194 | 194 | ||
| 195 | bool |
195 | bool AtomeListe::isEqual(const AtomeListe & a2) const { |
| 196 | std::stringstream s1, s2; |
196 | std::stringstream s1, s2; |
| 197 |
|
197 | printnorm(s1); |
| 198 | a2.printnorm(s2); |
198 | a2.printnorm(s2); |
| 199 | return s1.str() == s2.str(); |
199 | return s1.str() == s2.str(); |
| 200 | } |
200 | } |
| 201 | 201 | ||
| 202 | void AtomeListe::printcount(std::ostream & o, const fraction& n, int multiple=1) const{ |
202 | void AtomeListe::printcount(std::ostream & o, const fraction& n, int multiple=1) const{ |
| Line 245... | Line 245... | ||
| 245 | if (l.sq()) o << "]"; |
245 | if (l.sq()) o << "]"; |
| 246 | return o; |
246 | return o; |
| 247 | } |
247 | } |
| 248 | 248 | ||
| 249 | const char* moltypeStr[] = { "aq", "g", "s" }; |
249 | const char* moltypeStr[] = { "aq", "g", "s" }; |
| 250 | - | ||
| 251 | bool operator == (const Molec & m1, const Molec & m2){ |
- | |
| 252 | return *(m1.al) == *(m2.al) && m1.ch == m2.ch; |
- | |
| 253 | } |
- | |
| 254 | 250 | ||
| 255 | const std::string Molec::signature()const{ |
251 | const std::string Molec::signature()const{ |
| 256 | std::ostringstream o; |
252 | std::ostringstream o; |
| 257 | o << liste(); |
253 | o << liste(); |
| 258 | if (charge()){ |
254 | if (charge()){ |
| Line 611... | Line 607... | ||
| 611 | return o; |
607 | return o; |
| 612 | } |
608 | } |
| 613 | 609 | ||
| 614 | Membre operator & (Membre & m1, Membre & m2){ |
610 | Membre operator & (Membre & m1, Membre & m2){ |
| 615 | Membre result; |
611 | Membre result; |
| 616 | result. |
612 | //result.printnorm(std::cout); |
| 617 | fraction min(1); |
613 | fraction min(1); |
| 618 | for(Membre::iterator i = m1.begin(); i < m1.end(); i++){ |
614 | for(Membre::iterator i = m1.begin(); i < m1.end(); i++){ |
| 619 | for(Membre::iterator j = m2.begin(); j < m2.end(); j++){ |
615 | for(Membre::iterator j = m2.begin(); j < m2.end(); j++){ |
| 620 | if ( |
616 | if ((*i)->eqMol(*j)){ |
| 621 | Molec *m = new Molec(**i); |
617 | Molec *m = new Molec(**i); |
| 622 | if ((*i)->nb > (*j)->nb){ |
618 | if ((*i)->nb > (*j)->nb){ |
| 623 | min=(*j)->nb; |
619 | min=(*j)->nb; |
| 624 | }else{ |
620 | }else{ |
| 625 | min=(*i)->nb; |
621 | min=(*i)->nb; |
| Line 636... | Line 632... | ||
| 636 | Membre result; |
632 | Membre result; |
| 637 | fraction diff(1); |
633 | fraction diff(1); |
| 638 | for(Membre::iterator i = m1.begin(); i < m1.end(); i++){ |
634 | for(Membre::iterator i = m1.begin(); i < m1.end(); i++){ |
| 639 | Molec *m = new Molec(**i); |
635 | Molec *m = new Molec(**i); |
| 640 | for(Membre::iterator j = m2.begin(); j < m2.end(); j++){ |
636 | for(Membre::iterator j = m2.begin(); j < m2.end(); j++){ |
| 641 | if ( |
637 | if ((*i)->eqMol(*j)){ |
| 642 | diff=(*i)->nb - (*j)->nb; |
638 | diff=(*i)->nb - (*j)->nb; |
| 643 | m->nb=diff; |
639 | m->nb=diff; |
| 644 | } |
640 | } |
| 645 | } |
641 | } |
| 646 | result.push_back(m); |
642 | result.push_back(m); |