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Commit aba362c5 authored by Gerardo Tauriello's avatar Gerardo Tauriello
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Fix lddt binary argument parsing for complib.

parent 39ab987e
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...@@ -87,7 +87,7 @@ EntityHandle load(const String& file, const IOProfile& profile) ...@@ -87,7 +87,7 @@ EntityHandle load(const String& file, const IOProfile& profile)
void usage() void usage()
{ {
std::cerr << "usage: lddt [options] <mod1> [mod1 [mod2]] <re1>[,ref2,ref3]" << std::endl; std::cerr << "usage: lddt [options] <mod1> [mod1 [mod2]] <re1>[,ref2,ref3]" << std::endl;
std::cerr << " -s selection performed on ref" << std::endl; std::cerr << " -s <sel> selection performed on ref" << std::endl;
std::cerr << " -c use Calphas only" << std::endl; std::cerr << " -c use Calphas only" << std::endl;
std::cerr << " -f perform structural checks and filter input data" << std::endl; std::cerr << " -f perform structural checks and filter input data" << std::endl;
std::cerr << " -t fault tolerant parsing" << std::endl; std::cerr << " -t fault tolerant parsing" << std::endl;
...@@ -99,7 +99,7 @@ void usage() ...@@ -99,7 +99,7 @@ void usage()
std::cerr << " -i <value> sequence separation" << std::endl; std::cerr << " -i <value> sequence separation" << std::endl;
std::cerr << " -e print version" << std::endl; std::cerr << " -e print version" << std::endl;
std::cerr << " -x ignore residue name consistency checks" << std::endl; std::cerr << " -x ignore residue name consistency checks" << std::endl;
std::cerr << " -l <path> location of the compound library file" << std::endl;
} }
CompoundLibPtr load_compound_lib(const String& custom_path) CompoundLibPtr load_compound_lib(const String& custom_path)
...@@ -178,7 +178,7 @@ int main (int argc, char **argv) ...@@ -178,7 +178,7 @@ int main (int argc, char **argv)
("parameter-file,p", po::value<String>(), "stereo-chemical parameter file") ("parameter-file,p", po::value<String>(), "stereo-chemical parameter file")
("verbosity,v", po::value<int>(), "verbosity level") ("verbosity,v", po::value<int>(), "verbosity level")
("bond_tolerance,b", po::value<Real>(), "tolerance in stddev for bonds") ("bond_tolerance,b", po::value<Real>(), "tolerance in stddev for bonds")
("complib", po::value<String>(&custom_path)->default_value(""),"location of the compound library file") ("complib,l", po::value<String>(&custom_path)->default_value(""), "location of the compound library file")
("angle_tolerance,a", po::value<Real>(), "tolerance in stddev for angles") ("angle_tolerance,a", po::value<Real>(), "tolerance in stddev for angles")
("inclusion_radius,r", po::value<Real>(), "distance inclusion radius") ("inclusion_radius,r", po::value<Real>(), "distance inclusion radius")
("sequence_separation,i", po::value<int>(), "sequence separation") ("sequence_separation,i", po::value<int>(), "sequence separation")
...@@ -197,13 +197,13 @@ int main (int argc, char **argv) ...@@ -197,13 +197,13 @@ int main (int argc, char **argv)
usage(); usage();
exit(-1); exit(-1);
} }
po::notify(vm);
conop::CompoundLibPtr lib = load_compound_lib(custom_path); conop::CompoundLibPtr lib = load_compound_lib(custom_path);
if (!lib) { if (!lib) {
exit(0); exit(0);
} }
profile.processor = conop::RuleBasedProcessorPtr(new conop::RuleBasedProcessor(lib)); profile.processor = conop::RuleBasedProcessorPtr(new conop::RuleBasedProcessor(lib));
profile.processor->SetCheckBondFeasibility(false); profile.processor->SetCheckBondFeasibility(false);
po::notify(vm);
if (vm.count("version")) { if (vm.count("version")) {
std::cout << "Version: " << version << std::endl; std::cout << "Version: " << version << std::endl;
exit(0); exit(0);
......
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