void Molecule::insertResidues(Molecule add, int residue_start, int residue_end)
{
int add_nResidues, this_nResidues;
int ires_start = -1, ires_end = -1;
add_nResidues = add.numberOfResidues();
if (residue_start < 0 && residue_end < 0)
{
// Add whole chain
ires_start = 0;
ires_end = add_nResidues-1;
}
else
{
// Find beginning and ending ires
for (int ires = 0; ires < add_nResidues; ires++)
{
if (residue_start == add.residues[ires].number)
ires_start = ires;
if (residue_end == add.residues[ires].number)
ires_end = ires;
}
}
if (ires_start < 0 || ires_end < 0)
{
std::cerr << " ires_start= " << ires_start << " ires_end= " << ires_end << std::endl;
std::cerr << " residue_start= " << residue_start << " residue_end= " << residue_end << std::endl;
REPORT_ERROR("OrigamiBuilder::insertBases ERROR: negative ires_start or ires_end");
}
for (int ires = ires_start; ires <= ires_end; ires++)
{
int my_res = add.residues[ires].number;
bool have_inserted=false;
for (int ii = 0; ii < numberOfResidues(); ii++)
{
if (residues[ii].number > my_res)
{
insertResidue(add.residues[ires], ii);
have_inserted = true;
break;
}
}
if (!have_inserted)
addResidue(add.residues[ires]);
}
}
Residue * Molecule::addResidue()
{
Q_D(const Molecule);
return addResidue(d->residues.size());
}