44{
45
46
47
48
49
50
51
52
53
54
55 std::size_t i = 0;
56 std::size_t end = pepstr.size();
57 while(i < end)
58 {
59 QChar aa_char = pepstr[i];
60 if(aa_char == '[')
61 {
62 QString mod;
63 i++;
64 aa_char = pepstr[i];
65 while((i < end) && (aa_char != ']'))
66 {
67 mod.append(aa_char);
68 i++;
69 if(i < end)
70 aa_char = pepstr[i];
71 }
72
73 qDebug() << aa_char;
74 if(aa_char != ']')
75 {
77 QObject::tr("modification string is malformed %1").arg(mod));
78 }
79
80
81 bool is_double = false;
82 double mass_modif = mod.toDouble(&is_double);
83 if(is_double)
84 {
85 peptide.m_aaVec.back().addAaModification(
87 }
88 else
89 {
90 peptide.m_aaVec.back().addAaModification(
92 }
93 }
94 else
95 {
96 if(aa_char.isLetter())
97 {
98 Aa pappso_aa(aa_char.toLatin1());
99 if(peptide.size() == 0)
100 {
102 "internal:Nter_hydrolytic_cleavage_H"));
103 }
104 peptide.m_aaVec.push_back(pappso_aa);
105 }
106 }
107 i++;
108 }
109
110 peptide.m_aaVec.back().addAaModification(
112
113
114 peptide.m_proxyMass = -1;
115 peptide.getMass();
116}
static AaModificationP getInstance(const QString &accession)
static AaModificationP getInstanceCustomizedMod(pappso_double modificationMass)