libpappsomspp
Library for mass spectrometry
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34 #include <QStringList>
56 :
AaBase(toCopy), m_listMod(std::move(toCopy.m_listMod))
72 const std::vector<AaModificationP> &
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";
171 number_of_carbon += mod->getNumberOfAtom(atom);
175 return number_of_carbon;
185 number += mod->getNumberOfIsotope(isotope);
195 unsigned int number_of_mod = 0;
203 return number_of_mod;
211 if(modb->getAccession().startsWith(
"internal:Nter_"))
222 if(modb->getAccession().startsWith(
"internal:Cter_"))
233 return mod->getAccession().startsWith(
"internal:Nter_");
242 return mod->getAccession().startsWith(
"internal:Cter_");
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)
const QString & getAccession() const
void removeInternalCterModification()
virtual pappso_double getMass() const
const QString toString() const
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
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
Aa & operator=(const Aa &toCopy)
AaModificationP getInternalNterModification() const
std::vector< AaModificationP > m_listMod