MOL_SPTR_VECT readFuncGroups(std::string fileName) { std::ifstream inStream(fileName.c_str()); if ((!inStream) || (inStream.bad()) ) { std::ostringstream errout; errout << "Bad input file " << fileName; throw BadFileException(errout.str()); } MOL_SPTR_VECT funcGroups; funcGroups=readFuncGroups(inStream); return funcGroups; }
(*funcGroup)->getProp(common_properties::_Name, text); ss << text; ss << "\t"; (*funcGroup)->getProp(common_properties::_fragSMARTS, text); ss << text; ss << "\n"; } } std::string FragCatParams::Serialize() const { std::stringstream ss; toStream(ss); return ss.str(); } void FragCatParams::initFromString(const std::string &text) { std::stringstream ss(text); initFromStream(ss); } void FragCatParams::initFromStream(std::istream &ss) { ss >> d_lowerFragLen; ss >> d_upperFragLen; ss >> d_tolerance; int nGroups; ss >> nGroups; // std::cout << "Reading " << nGroups << " Groups" << std::endl; d_funcGroups = readFuncGroups(ss, nGroups); } }