int main(int argc, char** argv) {
try {
options.add_options()("frame,f",
boost::program_options::value<unsigned int>(&frame),
"Frame to use");
RMF_ADD_INPUT_FILE("rmf");
process_options(argc, argv);
RMF::FileConstHandle rh = RMF::open_rmf_file_read_only(input);
if (!rh.get_description().empty()) {
std::cout << "description: " << rh.get_description() << std::endl;
}
if (!rh.get_producer().empty()) {
std::cout << "producer: " << rh.get_producer() << std::endl;
}
rh.set_current_frame(RMF::FrameID(frame));
std::cout << "frames: " << rh.get_number_of_frames() << std::endl;
RMF::show_info(rh, std::cout);
RMF::decorator::AlternativesFactory af(rh);
using RMF::operator<<;
std::cout << "resolutions: " << RMF::decorator::get_resolutions(
rh.get_root_node(), RMF::PARTICLE, 0)
<< std::endl;
std::cout << "gaussian resolutions: "
<< RMF::decorator::get_resolutions(rh.get_root_node(),
RMF::GAUSSIAN_PARTICLE, 0)
<< std::endl;
return 0;
}
catch (const std::exception& e) {
std::cerr << "Error: " << e.what() << std::endl;
}
}
IMPRMF_BEGIN_NAMESPACE
void load_frame(RMF::FileConstHandle fh, RMF::FrameID frame) {
bool except = false;
std::string what;
try {
fh.set_current_frame(frame);
IMP_FOREACH(LoadLink * ll, internal::get_load_linkers(fh)) { ll->load(fh); }
}
catch (const std::exception& e) {
except = true;
what = e.what();
}
// Work around an MSVC 2012 compiler bug (exceptions thrown within a
// catch block cannot be caught)
if (except) {
IMP_THROW(what, IOException);
}
}
int main(int argc, char** argv) {
try {
RMF_ADD_INPUT_FILE("rmf");
RMF_ADD_OUTPUT_FILE("xml");
int frame = 0;
options.add_options()("frame,f", boost::program_options::value<int>(&frame),
"Frame to use, if -1 just show static data")(
"verbose,v", "Show the attribute values for each node.");
process_options(argc, argv);
RMF::FileConstHandle rh = RMF::open_rmf_file_read_only(input);
std::ostream* out;
std::ofstream fout;
if (!output.empty()) {
fout.open(output.c_str());
if (!fout) {
std::cerr << "Error opening file " << output << std::endl;
return 1;
}
out = &fout;
} else {
out = &std::cout;
}
RMF::Categories cs = rh.get_categories();
*out << "<?xml version=\"1.0\"?>\n";
*out << "<rmf>\n";
*out << "<description>\n";
*out << rh.get_description() << std::endl;
*out << "</description>\n";
*out << "<path>\n";
*out << input << std::endl;
*out << "</path>\n";
std::set<RMF::NodeConstHandle> seen;
rh.set_current_frame(RMF::FrameID(frame));
show_hierarchy(rh.get_root_node(), cs, seen, *out);
*out << "</rmf>\n";
return 0;
}
catch (const std::exception& e) {
std::cerr << "Error: " << e.what() << std::endl;
}
}
int main(int argc, char **argv) {
try {
RMF_ADD_INPUT_FILE("rmf");
process_options(argc, argv);
RMF::FileConstHandle rh = RMF::open_rmf_file_read_only(input);
for (unsigned int i = 0; i < rh.get_number_of_frames(); ++i) {
rh.set_current_frame(i);
std::string cmt = rh.get_current_frame().get_name();
if (!cmt.empty()) {
std::cout << i << ": " << cmt << std::endl;
}
}
return 0;
} catch (const std::exception &e) {
std::cerr << "Error: " << e.what() << std::endl;
}
}
int main(int argc, char** argv) {
try {
RMF_ADD_INPUT_FILE("rmf");
RMF_ADD_OUTPUT_FILE("pdb");
RMF_ADD_FRAMES;
process_options(argc, argv);
RMF::FileConstHandle rh = RMF::open_rmf_file_read_only(input);
std::ostream* out;
std::ofstream fout;
if (!output.empty()) {
fout.open(output.c_str());
if (!fout) {
std::cerr << "Error opening file " << output << std::endl;
return 1;
}
out = &fout;
} else {
out = &std::cout;
}
RMF::decorator::IntermediateParticleFactory ipf(rh);
RMF::decorator::AtomFactory af(rh);
RMF::decorator::ChainFactory cf(rh);
RMF::decorator::ResidueFactory rf(rh);
RMF::NodeConstHandle rn = rh.get_root_node();
for (unsigned int input_frame = start_frame, output_frame = 0;
input_frame < rh.get_number_of_frames();
input_frame += step_frame, ++output_frame) {
rh.set_current_frame(RMF::FrameID(input_frame));
*out << (boost::format("MODEL%1$9d") % (output_frame + 1)) << std::endl;
write_atoms(*out, 0, rn, ipf, af, cf, rf);
*out << "ENDMDL" << output_frame + 1 << std::endl;
}
return 0;
}
catch (const std::exception& e) {
std::cerr << "Error: " << e.what() << std::endl;
}
}