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Rev 6872 Rev 7222
Line 228... Line 228...
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std::ostream & operator << (std::ostream & o, const AtomeListe & l){
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std::ostream & operator << (std::ostream & o, const AtomeListe & l){
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  int n;
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  int n;
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  const AtomeListe * al;
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  const AtomeListe * al;
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  if (l.sq()) o << "[";
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  if (l.sq()) o << "[";
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  if(l.Z()>0 || l.Z()<-1){
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  if(l.Z()>0 || l.Z()<-1){
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    o << l.symbole();
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    o << "\\mathrm{" << l.symbole() << "}";
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  }
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  }
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  else if (l.Z()==-1){ // cas de l'électron
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  else if (l.Z()==-1){ // cas de l'électron
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    o << "e";
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    o << "\\mathrm{e}";
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  }
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  }
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  else{                // cas des groupes parenthésés
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  else{                // cas des groupes parenthésés
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    o << "(";
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    o << "(";
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    if((al=l.groupe())) o << *al;
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    if((al=l.groupe())) o << *al;
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    o << ")";
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    o << ")";
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  if (ch) {
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  if (ch) {
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    o << "^";
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    o << "^";
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    if(fabs(1.0*ch)!=1) o << fabs(1.0*ch);
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    if(fabs(1.0*ch)!=1) o << fabs(1.0*ch);
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    if(ch>0) o << "+"; else o << "-";
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    if(ch>0) o << "+"; else o << "-";
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  }
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  }
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  if (!iswater()&&!iselectron()) o << "_" << moltypeStr[t];
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  if (!iswater() && !iselectron()) o << "_"  << moltypeStr[t];
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}
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}
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void Molec::coeff( fraction f){
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void Molec::coeff( fraction f){
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  nb.i *= f.i;
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  nb.i *= f.i;
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  nb.d *= f.d;
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  nb.d *= f.d;
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  return false;
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  return false;
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}
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}
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bool Molec::iswater()const{
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bool Molec::iswater()const{
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  if (t != aqueous) return 0;
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  if (t != aqueous) return 0;
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  if (signature()==std::string("H_{2}O") ||
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  if (signature()==std::string("\\mathrm{H}_{2}\\mathrm{O}") ||
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      signature()==std::string("OH_{2}")) return 1;
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      signature()==std::string("\\mathrm{O}\\mathrm{H}_{2}")) return 1;
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  else return 0;
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  else return 0;
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}
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}
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bool Molec::iselectron()const{
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bool Molec::iselectron()const{
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  return (signature()==std::string("e^{-}"));
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  return (signature()==std::string("\\mathrm{e}^{-}"));
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}
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}
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fraction Molec::nbelectron()const{
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fraction Molec::nbelectron()const{
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  if (iselectron()) return nb;
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  if (iselectron()) return nb;
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  else return fraction(0);
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  else return fraction(0);
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  if (m.charge()){
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  if (m.charge()){
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    o << "^{";
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    o << "^{";
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    if(fabs(1.0*m.charge())!=1) o << fabs(1.0*m.charge());
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    if(fabs(1.0*m.charge())!=1) o << fabs(1.0*m.charge());
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    if(m.charge()>0) o << "+}"; else o << "-}";
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    if(m.charge()>0) o << "+}"; else o << "-}";
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  }
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  }
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  if (m.typage() != aqueous) o << "_{" << moltypeStr[m.typage()] << "}";
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  if (m.typage() != aqueous && ! m.iselectron()) o << "_{" << moltypeStr[m.typage()] << "}";
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  return o;
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  return o;
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}
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}
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 447 
 
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int Membre::findMol(const Molec * m){
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int Membre::findMol(const Molec * m){
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  // returns the index of a molecule with the same atomlist if any
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  // returns the index of a molecule with the same atomlist if any