molfile_read_test.cc File Reference

Check molfile loading in Rosetta. More...

#include <core/chemical/ChemicalManager.hh>
#include <core/chemical/AtomTypeSet.hh>
#include <core/chemical/ResidueTypeSet.hh>
#include <core/chemical/ElementSet.hh>
#include <core/chemical/MMAtomTypeSet.hh>
#include <core/chemical/orbitals/OrbitalTypeSet.hh>
#include <core/chemical/ResidueType.hh>
#include <core/chemical/AtomType.hh>
#include <core/chemical/residue_io.hh>
#include <core/chemical/sdf/MolFileIOData.hh>
#include <core/chemical/sdf/MolFileIOReader.hh>
#include <core/chemical/sdf/mol_writer.hh>
#include <core/types.hh>
#include <devel/init.hh>
#include <utility/options/FileVectorOption.hh>
#include <basic/options/option.hh>
#include <basic/options/option_macros.hh>
#include <basic/options/keys/in.OptionKeys.gen.hh>
#include <basic/Tracer.hh>
#include <fstream>

Functions
int	main (int argc, char *argv[])

Variables
static basic::Tracer	TR ("apps.rosetta_retype_check")

Detailed Description

Check molfile loading in Rosetta.

Author

Rocco Moretti (rmore.nosp@m.ttia.nosp@m.se@gm.nosp@m.ail..nosp@m.com)

Function Documentation

main()

int main	(	int	argc,
		char *	argv[]
	)

References argv, basic::options::OptionKeys::chemical::chemical, data, test.T009_Exceptions::e, basic::Tracer::Error, basic::options::OptionKeys::in::file::extra_res_fa, lactamize::filename, PREcst::fname, create_a3b_hbs::i, basic::init(), basic::options::option, utility::options::VectorOption_T_< K, T >::size(), and basic::options::TR.

Variable Documentation

TR

basic::Tracer TR("apps.rosetta_retype_check") ( "apps.rosetta_retype_check"  )

static