本文整理汇总了C++中TextOutput::get_stream方法的典型用法代码示例。如果您正苦于以下问题:C++ TextOutput::get_stream方法的具体用法?C++ TextOutput::get_stream怎么用?C++ TextOutput::get_stream使用的例子?那么, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类TextOutput
的用法示例。
在下文中一共展示了TextOutput::get_stream方法的2个代码示例,这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞,您的评价将有助于系统推荐出更棒的C++代码示例。
示例1: write_connolly_surface
IMPMULTIFIT_BEGIN_NAMESPACE
void write_connolly_surface(atom::Atoms atoms, TextOutput fn,
float density, float probe_radius) {
algebra::Sphere3Ds spheres;
for (unsigned int i = 0; i < atoms.size(); ++i) {
spheres.push_back(core::XYZR(atoms[i]).get_sphere());
}
algebra::ConnollySurfacePoints sps =
algebra::get_connolly_surface(spheres, density, probe_radius);
for (unsigned int i = 0; i < sps.size(); ++i) {
fn.get_stream() << std::setw(5) << sps[i].get_atom(0) + 1 << std::setw(5)
<< sps[i].get_atom(1) + 1 << std::setw(5)
<< sps[i].get_atom(2) + 1 << std::fixed << std::setw(8)
<< std::setprecision(3) << sps[i].get_surface_point()[0]
<< std::setw(8) << std::setprecision(3)
<< sps[i].get_surface_point()[1] << std::setw(8)
<< std::setprecision(3) << sps[i].get_surface_point()[2]
<< std::setw(8) << std::setprecision(3) << sps[i].get_area()
<< std::setw(7) << std::setprecision(3)
<< sps[i].get_normal()[0] << std::setw(7)
<< std::setprecision(3) << sps[i].get_normal()[1]
<< std::setw(7) << std::setprecision(3)
<< sps[i].get_normal()[2] << " 0.500" << std::endl;
}
}
示例2: write_pdb
void write_pdb(const ParticlesTemp& ps, TextOutput out) {
IMP_FUNCTION_LOG;
int last_index = 0;
bool use_input_index = true;
for (unsigned int i = 0; i < ps.size(); ++i) {
if (Atom(ps[i]).get_input_index() != last_index + 1) {
use_input_index = false;
break;
} else {
++last_index;
}
}
for (unsigned int i = 0; i < ps.size(); ++i) {
if (Atom::get_is_setup(ps[i])) {
Atom ad(ps[i]);
Residue rd = get_residue(ad);
// really dumb and slow, fix later
char chain;
Chain c = get_chain(rd);
if (c) {
chain = c.get_id()[0];
} else {
chain = ' ';
}
int inum = i+1;
if (i>=99999) inum=99999;
out.get_stream() << get_pdb_string(
core::XYZ(ps[i]).get_coordinates(),
use_input_index ? ad.get_input_index()
: static_cast<int>(inum),
ad.get_atom_type(), rd.get_residue_type(), chain,
rd.get_index(), rd.get_insertion_code(),
ad.get_occupancy(), ad.get_temperature_factor(),
ad.get_element());
if (!out) {
IMP_THROW("Error writing to file in write_pdb", IOException);
}
}
else if (Residue::get_is_setup(ps[i])) { // if C-alpha residue is available
Residue rd = IMP::atom::Residue(ps[i]);
// comment 1 by SJ - TODO: How to retrieve the correct chain information without an hierarchy?
char chain;
Chain c = get_chain(rd);
if (c) {
chain = c.get_id()[0];
} else {
chain = ' ';
}
// comment 2 by SJ - TODO: The C-alpha residues are not sorted yet. We need to sort the residues similarly to what PMI does.
out.get_stream() << get_pdb_string(
core::XYZ(ps[i]).get_coordinates(),
static_cast<int>(i + 1),
IMP::atom::AT_CA, rd.get_residue_type(), chain,
rd.get_index(), ' ',
1.0, IMP::core::XYZR(ps[i]).get_radius());
}
else { // if a coarse-grained BEAD is available
Ints resindexes = IMP::atom::Fragment(ps[i]).get_residue_indexes();
int resindex = (int)resindexes.front() + (int)(resindexes.size()/2);
// comment 1 by SJ - TODO: How to retrieve the correct chain information without an hierarchy?
char chain = ' ';
// comment 3 by SJ - TODO: The BEADs are not sorted yet. We need to sort the residues similarly to what PMI does.
// comment 4 by SJ - TODO: currently IMP does not allow "BEA" as a residue name, while PMI allows it. Thus "UNK" was used instead.
out.get_stream() << get_pdb_string(
core::XYZ(ps[i]).get_coordinates(),
static_cast<int>(i + 1),
IMP::atom::AT_CA, IMP::atom::UNK, chain,
(int)resindex, ' ',
1.0, IMP::core::XYZR(ps[i]).get_radius());
}
}
}