libpappsomspp
Library for mass spectrometry
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Go to the documentation of this file.
34 #include <QStringList>
56 :
AaBase(toCopy), m_listMod(std::move(toCopy.m_listMod))
72 const std::vector<AaModificationP> &
81 qDebug() <<
"Aa::getMass() begin";
85 mass += mod->getMass();
100 QStringList modification_str_list;
103 modification_str_list << (*it)->getAccession();
106 if(modification_str_list.size() > 0)
107 seq += QString(
"(%1)").arg(modification_str_list.join(
","));
120 QStringList modification_str_list;
123 if(!(*it)->isInternal())
125 modification_str_list << (*it)->getAccession();
129 if(modification_str_list.size() > 0)
130 seq += QString(
"(%1)").arg(modification_str_list.join(
","));
139 std::vector<AaModificationP>::iterator it =
152 qDebug() <<
"Aa::addAaModification begin";
153 qDebug() << aaModification->getAccession();
170 number_of_carbon += mod->getNumberOfAtom(atom);
174 return number_of_carbon;
184 number += mod->getNumberOfIsotope(isotope);
194 unsigned int number_of_mod = 0;
202 return number_of_mod;
210 if(modb->getAccession().startsWith(
"internal:Nter_"))
221 if(modb->getAccession().startsWith(
"internal:Cter_"))
232 return mod->getAccession().startsWith(
"internal:Nter_");
241 return mod->getAccession().startsWith(
"internal:Cter_");
275 std::tie(r.m_aaLetter, r.m_listMod));
281 return l.isAaEqual(r);
287 return l.isLesser(r);
void removeInternalNterModification()
void replaceAaModification(AaModificationP oldmod, AaModificationP newmod)
replaces all occurences of a modification by a new one
double pappso_double
A type definition for doubles.
const QString toAbsoluteString() const
bool operator<(Aa const &l, Aa const &r)
void removeInternalCterModification()
virtual pappso_double getMass() const
const QString toString() const
bool operator==(Aa const &l, Aa const &r)
void addAaModification(AaModificationP aaModification)
void removeAaModification(AaModificationP aaModification)
int getNumberOfAtom(AtomIsotopeSurvey atom) const override final
get the number of atom C, O, N, H in the molecule
const std::vector< AaModificationP > & getModificationList() const
pappso_double getMass() const override
virtual const char & getLetter() const
bool isLesser(Aa const &r) const
int getNumberOfIsotope(Isotope isotope) const override final
get the number of isotopes C13, H2, O17, O18, N15, S33, S34, S36 in the molecule
virtual int getNumberOfAtom(AtomIsotopeSurvey atom) const override
get the number of atom C, O, N, H in the molecule
AaModificationP getInternalCterModification() const
bool isAaEqual(Aa const &r) const
unsigned int getNumberOfModification(AaModificationP mod) const
const typedef AaModification * AaModificationP
Aa & operator=(const Aa &toCopy)
AaModificationP getInternalNterModification() const
std::vector< AaModificationP > m_listMod