#include "Common.h" void Common::checkFile(const char* fileName, std::ifstream& file) { if(!file) { std::cerr << "Can't open file: " << fileName << std::endl; Logger::errorMessage() << "Can't open file: " << fileName << std::endl; exit(1); } } void Common::readChemMolecule(const std::string fileName, ChemMolecule& mol, const ChemLib& protLib) { std::ifstream molFile(fileName.c_str()); checkFile(fileName.c_str(), molFile); mol.loadMolecule(molFile, protLib); molFile.close(); Logger::infoMessage() << "Chem molecule: " << mol.size() << " atoms were read" << std::endl; } void Common::readChemMolecule(const std::string fileName, ChemMolecule& mol) { std::ifstream molFile(fileName.c_str()); checkFile(fileName.c_str(), molFile); mol.readPDBfile(molFile, PDB::WaterHydrogenUnSelector()); molFile.close(); Logger::infoMessage() << "Chem molecule: " << mol.size() << " atoms were read" << std::endl; } void Common::readHydrogenMolecule(const std::string fileName, Molecule& mol) { std::ifstream molFile(fileName.c_str()); checkFile(fileName.c_str(), molFile); mol.readAllPDBfile(molFile, PDB::WaterUnSelector()); molFile.close(); Logger::infoMessage() << "Hydrogen molecule: " << mol.size() << " atoms were read" << std::endl; } void Common::readSurface(const std::string fileName, Surface& surface) { std::ifstream surfFile(fileName.c_str()); checkFile(fileName.c_str(), surfFile); surface.readShouFile(surfFile); surfFile.close(); Logger::infoMessage() << "Surface: " << surface.size() << " surface points were read" << std::endl; }